1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid

C17H25NO2 — CID 3997008

IUPAC1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(CN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)15-8-6-13(7-9-15)11-18-10-4-5-14(12-18)16(19)20/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyZGWCSAWHNFXYIN-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.28
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid

1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 3997008) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID3997008
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(CN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)15-8-6-13(7-9-15)11-18-10-4-5-14(12-18)16(19)20/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyZGWCSAWHNFXYIN-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine-3-carboxylic acid
CID 122040846
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060
1-[4-[[3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 45247436
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid (CID 3997008) is 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid is CC(C)(C)c1ccc(CN2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is ZGWCSAWHNFXYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)15-8-6-13(7-9-15)11-18-10-4-5-14(12-18)16(19)20/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3997008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).