4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid

C18H27NO2 — CID 174516040

IUPAC4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1ccc(CCC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)16-8-6-14(7-9-16)4-5-15-10-12-19(13-11-15)17(20)21/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,21)
InChIKeyCBSJMBLWQPSEGO-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.31
Rot. Bonds3

About 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid

4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid (PubChem CID 174516040) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
PubChem CID174516040
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1ccc(CCC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)16-8-6-14(7-9-16)4-5-15-10-12-19(13-11-15)17(20)21/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,21)
InChIKeyCBSJMBLWQPSEGO-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-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

4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
CID 68972515
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
2-methylsulfonyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 47039161

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid (CID 174516040) is 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid is CC(C)(C)c1ccc(CCC2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid?
The InChIKey is CBSJMBLWQPSEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)16-8-6-14(7-9-16)4-5-15-10-12-19(13-11-15)17(20)21/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid?
4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174516040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).