4-Anilino-1-benzyl-4-cyanopiperidine

CAS
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Purity
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CAS
968-86-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM968865

Product Name

4-Anilino-1-benzyl-4-cyanopiperidine

Structure

Structure

CAS

968-86-5

Category

Heterocyclic Organic Compound

Synonyms

Oprea1_077623, Oprea1_583104, MLS000768129, NSC73005, MolPort-001-011-489, ALBB-006604, CID70412, EINECS 213-533-0, STK504026, 4-Anilino-1-benzylpiperidine-4-carbonitrile, SMR000431508, EU-0099857, 1-Benzyl-4-phenylamino-piperidine-4-carbonitrile, 1-benzyl-4-(phenylamino)piperidine-4-carbonitrile, A0707/0032987, Piperidine-4-carbonitrile, 1-benzyl-4-phenylamino-, 4-Piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-, 968-86-5

IUPAC Name

4-anilino-1-benzylpiperidine-4-carbonitrile

Molecular Weight

291.39

Molecular Formula

C₁₉H₂₁N₃

InChI Key

AYYPQRMTCMCFSL-UHFFFAOYSA-N

Exact Mass

291.17400

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound in the reference?

The molecular formula is C19H21N3.

What is the molecular weight of the compound?

The molecular weight is 291.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-anilino-1-benzylpiperidine-4-carbonitrile.

What is the InChI of the compound?

The InChI is InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2.

What is the InChIKey of the compound?

The InChIKey is AYYPQRMTCMCFSL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3.

What is the CAS number of the compound?

The CAS number is 968-86-5.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL2135258.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.6.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 1.

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