Name: Name:1-[(tert-butoxy)carbonyl]-3-(4-chlorophenyl)piperidine-4-carboxylic acid, Mixture of diastereomers
Brand: Angene
SKU: AG01EKLS
Rating: 90 (10 reviews)

1-[(tert-butoxy)carbonyl]-3-(4-chlorophenyl)piperidine-4-carboxylic acid, Mixture of diastereomers

CAS No.:

1395601-21-4

Catalog Number:

AG01EKLS

Molecular Formula:

C17H22ClNO4

Molecular Weight:

339.8139

Catalog Number:

AG01EKLS

Chemical Name:

1-[(tert-butoxy)carbonyl]-3-(4-chlorophenyl)piperidine-4-carboxylic acid, Mixture of diastereomers

CAS Number:

1395601-21-4

Molecular Formula:

C17H22ClNO4

Molecular Weight:

339.8139

MDL Number:

MFCD29067948

IUPAC Name:

3-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

InChI:

InChI=1S/C17H22ClNO4/c1-17(2,3)23-16(22)19-9-8-13(15(20)21)14(10-19)11-4-6-12(18)7-5-11/h4-7,13-14H,8-10H2,1-3H3,(H,20,21)

InChI Key:

PFUUNKWBKRROEO-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)C1CN(CCC1C(=O)O)C(=O)OC(C)(C)C

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

339.124g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.816g/mol

Monoisotopic Mass:

339.124g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2