2-(4-benzylpiperidin-1-yl)propanoic acid

C15H21NO2 — CID 20986530

IUPAC2-(4-benzylpiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-12(15(17)18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyRURDNKWWNOLVMF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-benzylpiperidin-1-yl)propanoic acid

2-(4-benzylpiperidin-1-yl)propanoic acid (PubChem CID 20986530) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)propanoic acid
PubChem CID20986530
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(4-benzylpiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-12(15(17)18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyRURDNKWWNOLVMF-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

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Related Compounds

2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
[(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-(4-benzylpiperidin-1-yl)propanoate
CID 95309429
1-[2-(4-benzylpiperidin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356295
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
(2S)-2-[2-(4-benzylpiperidin-1-yl)propanoylamino]hexanoic acid
CID 120614792
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)propanoic acid (CID 20986530) is 2-(4-benzylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)propanoic acid?
The InChIKey is RURDNKWWNOLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(15(17)18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-benzylpiperidin-1-yl)propanoic acid?
2-(4-benzylpiperidin-1-yl)propanoic 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 2-(4-benzylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 20986530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).