1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid

C18H27NO2 — CID 122084060

IUPAC1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-13-5-8-15(17(20)21)12-19(13)11-14-6-9-16(10-7-14)18(2,3)4/h6-7,9-10,13,15H,5,8,11-12H2,1-4H3,(H,20,21)
InChIKeyPUTQYWRCYSHYAL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.67
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid

1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122084060) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122084060
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-13-5-8-15(17(20)21)12-19(13)11-14-6-9-16(10-7-14)18(2,3)4/h6-7,9-10,13,15H,5,8,11-12H2,1-4H3,(H,20,21)
InChIKeyPUTQYWRCYSHYAL-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-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

6-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122084119
1-[[5-(4-tert-butylphenyl)furan-2-yl]methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124471
1-[(3,4-difluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084101
1-[(4-butoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124354
1-[(3-bromo-4-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084066
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
1-[(3-chloro-5-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084199
6-methyl-1-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122124583
1-(2,2-dimethylpropyl)-6-methylpiperidine-3-carboxylic acid
CID 130901537
(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124337

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid (CID 122084060) is 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is PUTQYWRCYSHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-5-8-15(17(20)21)12-19(13)11-14-6-9-16(10-7-14)18(2,3)4/h6-7,9-10,13,15H,5,8,11-12H2,1-4H3,(H,20,21).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 3.67, 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]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122084060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).