1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid

C15H21NO2 — CID 174980645

IUPAC1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cccc(N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H21NO2/c1-11(2)12-5-3-7-14(9-12)16-8-4-6-13(10-16)15(17)18/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,17,18)
InChIKeyBAOCUUZXSZCUGA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.11
Rot. Bonds3

About 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid

1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid (PubChem CID 174980645) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
PubChem CID174980645
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cccc(N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H21NO2/c1-11(2)12-5-3-7-14(9-12)16-8-4-6-13(10-16)15(17)18/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,17,18)
InChIKeyBAOCUUZXSZCUGA-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
CID 167341236
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 169288841
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid (CID 174980645) is 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid is CC(C)c1cccc(N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid?
The InChIKey is BAOCUUZXSZCUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)12-5-3-7-14(9-12)16-8-4-6-13(10-16)15(17)18/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid?
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 174980645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).