3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid

C15H21NO3 — CID 66322768

IUPAC3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-14(18)6-7-15(19)8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5,19H,6-12H2,(H,17,18)
InChIKeyFIHOSJNUCPIJGQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds5

About 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid

3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid (PubChem CID 66322768) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
PubChem CID66322768
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-14(18)6-7-15(19)8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5,19H,6-12H2,(H,17,18)
InChIKeyFIHOSJNUCPIJGQ-UHFFFAOYSA-N
XLogP1.88
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic 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

1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 18430919
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid (CID 66322768) is 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid is O=C(O)CCC1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid?
The InChIKey is FIHOSJNUCPIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(18)6-7-15(19)8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5,19H,6-12H2,(H,17,18).
What are the key properties of 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid?
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid is sourced from PubChem (CID 66322768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).