1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid

C15H21NO2 — CID 65053936

IUPAC1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC(Cc1ccccc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-12(11-13-5-3-2-4-6-13)16-9-7-14(8-10-16)15(17)18/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyVMBYDDSVIRXMKH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds4

About 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid

1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid (PubChem CID 65053936) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
PubChem CID65053936
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
SMILESCC(Cc1ccccc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-12(11-13-5-3-2-4-6-13)16-9-7-14(8-10-16)15(17)18/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyVMBYDDSVIRXMKH-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-phenylpropan-2-yl)piperidine-4-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

(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
1-[1-(4-methylsulfanylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751499
1-[(2R)-1-phenylpropan-2-yl]piperidin-4-ol
CID 129494382
1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
CID 84751503
1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 82065309
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 82255857
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid (CID 65053936) is 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid is CC(Cc1ccccc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid?
The InChIKey is VMBYDDSVIRXMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(11-13-5-3-2-4-6-13)16-9-7-14(8-10-16)15(17)18/h2-6,12,14H,7-11H2,1H3,(H,17,18).
What are the key properties of 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid?
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65053936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).