1-(4-Tert-butylbenzyl)piperidine-4-carboxylic acid

HCID 4456853

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Basic information

CAS: 872991-72-5
Standard SMILES: CC(C)(C)c1ccc(CN2CCC(C(=O)O)CC2)cc1
InChIKey: ZDDQVNMLECIPQP-UHFFFAOYSA-N
Molecular formula: C17H25NO2
Average molar mass: 275.4 g/mol
Monoisotopic mass: 275.18852904

Names & identifiers

Preferred name: 1-(4-Tert-butylbenzyl)piperidine-4-carboxylic acid
IUPAC: 1-[(4-tert-butylphenyl)methyl]piperidine-4-carboxylic acid
English name: N-(4-tert-Butylbenzyl)piperidine-4-carboxylic acid
Molecular formula: C17H25NO2
Molecular weight: 275.39

Names & synonyms

872991-72-51-(4-TERT-BUTYLBENZYL)PIPERIDINE-4-CARBOXYLIC ACID1-(4-(tert-Butyl)benzyl)piperidine-4-carboxylic acid1-[(4-tert-butylphenyl)methyl]piperidine-4-carboxylic AcidMFCD05169754N-(4-Tert-butylbenzyl)piperidine-4-carboxylic acidSCHEMBL5791973DTXSID70403483AKOS009484228A104461-(4-(tert-Butyl)benzyl)piperidine-4-carboxylicacid1-(4-tert-butyl-benzyl)-piperidine-4-carboxylic acid

Show more names

4-Piperidinecarboxylic acid, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]-

Database identifiers

CAS: 872991-72-5
PubChem CID: 4456853
DTXSID: DTXSID70403483

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 318

Chemistry & industry

Suppliers2 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海信旗医药科技有限公司+86-21-54098501 · [email protected]

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