tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate

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CAS
946593-11-9
Size
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Purity
96%
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Availability
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Catalog Number

ACM946593119

Product Name

tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate

Structure

Structure

CAS

946593-11-9

Category

Heterocyclic Organic Compound

Synonyms

1-N-BOC-4-(4-CHLOROPHENYL)PIPERIDINE

IUPAC Name

tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate

Molecular Weight

295.808

Molecular Formula

C₁₆H₂₂ClNO₂

InChI Key

ODNDRHCDSBWGGD-UHFFFAOYSA-N

Boiling Point

384.8ºC at 760 mmHg

Flash Point

186.5ºC

Density

1.134g/cm³

Exact Mass

295.13400

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The molecular formula is C16H22ClNO2.

What is the molecular weight of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The molecular weight is 295.80 g/mol.

What is the IUPAC name of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The IUPAC name is tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate.

What is the InChI of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The InChI is InChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3.

What is the InChIKey of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The InChIKey is ODNDRHCDSBWGGD-UHFFFAOYSA-N.

What is the canonical SMILES of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The canonical SMILES is CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl.

What is the CAS number of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The CAS number is 946593-11-9.

What is the formal charge of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?

The formal charge is 0.

How many hydrogen bond acceptor counts does tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate have?

It has 2 hydrogen bond acceptor counts.

Is tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate a canonicalized compound?

Yes, it is a canonicalized compound.

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