4-Piperidinecarboxylicacid,1-[4-(aminomethyl)-2-pyridinyl]-,ethyl ester

CAS
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CAS
912569-46-1
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Purity
96%
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Catalog Number

ACM912569461

Product Name

4-Piperidinecarboxylicacid,1-[4-(aminomethyl)-2-pyridinyl]-,ethyl ester

Structure

Structure

CAS

912569-46-1

Category

Heterocyclic Organic Compound

Synonyms

912569-46-1, Ethyl 1-[4-(aminomethyl)pyridin-2-yl]piperidine-4-carboxylate, CTK5G9128, SBB102684, AG-H-74328, CC50713, KB-251931, 1-[4-(Aminomethyl)pyridin-2-yl]-4-(ethoxycarbonyl)piperidine, 4-(Aminomethyl)-2-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine, ethyl 1-[4-(aminomethyl)-2-pyridyl]piperidine-4-carboxylate, ETHYL 1-[4-(AMINOMETHYL)(PYRIDIN-2-YL)]PIPERIDINE-4-CARBOXYLATE

IUPAC Name

ethyl 1-[4-(aminomethyl)pyridin-2-yl]piperidine-4-carboxylate

Molecular Weight

263.34

Molecular Formula

C₁₄H₂₁N₃O₂

Canonical SMILES

CCOC(=O)C1CCN(CC1)C2=NC=CC(=C2)CN

InChI Key

BMBWEVVLGSEYRI-UHFFFAOYSA-N

Boiling Point

435.7ºC at 760 mmHg

Melting Point

>200ºC (dec.)

Flash Point

217.3ºC

Density

1.149g/cm³

Exact Mass

263.16300

H-Bond Acceptor

5

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

The molecular formula is C14H21N3O2.

What is the molecular weight of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

The molecular weight is 263.34 g/mol.

When was 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester first created in PubChem?

It was first created on 2008-02-29.

What is the InChIKey of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

The InChIKey is BMBWEVVLGSEYRI-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

There is 1 hydrogen bond donor count.

What is the XLogP3-AA value of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

The XLogP3-AA value is 0.9.

What is the topological polar surface area of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

The topological polar surface area is 68.4 Å².

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

How many rotatable bond counts are there in 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

There are 5 rotatable bond counts.

What is the formal charge of 4-Piperidinecarboxylic acid, 1-[4-(aminomethyl)-2-pyridinyl]-, ethyl ester?

The formal charge is 0.

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