2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid

C16H23NO3 — CID 110539552

IUPAC2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
SMILESCCCN1CCC(O)C(Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-2-8-17-9-7-15(18)13(11-17)10-12-5-3-4-6-14(12)16(19)20/h3-6,13,15,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyJALWOUHNPYDGNA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.02
Rot. Bonds5

About 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid

2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid (PubChem CID 110539552) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
PubChem CID110539552
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
SMILESCCCN1CCC(O)C(Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-2-8-17-9-7-15(18)13(11-17)10-12-5-3-4-6-14(12)16(19)20/h3-6,13,15,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyJALWOUHNPYDGNA-UHFFFAOYSA-N
XLogP2.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic 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-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
CID 110537453
3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
CID 110537891
(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
CID 124748447
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
3-[(2-heptoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537623
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 169410782
2-(thiiran-2-ylmethyl)benzoic acid
CID 142661852
2-[[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzoic acid
CID 72837100
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid?
The IUPAC name of 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid (CID 110539552) is 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid?
The canonical SMILES for 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid is CCCN1CCC(O)C(Cc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid?
The InChIKey is JALWOUHNPYDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-8-17-9-7-15(18)13(11-17)10-12-5-3-4-6-14(12)16(19)20/h3-6,13,15,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid?
2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid is sourced from PubChem (CID 110539552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).