4-[hydroxy(piperidin-4-yl)methyl]benzoic acid

C13H17NO3 — CID 105496132

IUPAC4-[hydroxy(piperidin-4-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(C(O)C2CCNCC2)cc1
InChIInChI=1S/C13H17NO3/c15-12(10-5-7-14-8-6-10)9-1-3-11(4-2-9)13(16)17/h1-4,10,12,14-15H,5-8H2,(H,16,17)
InChIKeySPWSEYIKKAGAEX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.42
Rot. Bonds3

About 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid

4-[hydroxy(piperidin-4-yl)methyl]benzoic acid (PubChem CID 105496132) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[hydroxy(piperidin-4-yl)methyl]benzoic acid
PubChem CID105496132
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-[hydroxy(piperidin-4-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(C(O)C2CCNCC2)cc1
InChIInChI=1S/C13H17NO3/c15-12(10-5-7-14-8-6-10)9-1-3-11(4-2-9)13(16)17/h1-4,10,12,14-15H,5-8H2,(H,16,17)
InChIKeySPWSEYIKKAGAEX-UHFFFAOYSA-N
XLogP1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(azepan-4-yl)methanol
CID 84686059
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
tert-butyl formate;phenyl(piperidin-4-yl)methanol
CID 174757388
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzoic acid;hydrochloride
CID 171266506
4-[(R)-amino(cyclopentyl)methyl]benzoic acid;hydrochloride
CID 171198147
4-(dichloromethyl)piperidine;4-ethoxybenzoic acid
CID 175416448
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
4-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]benzoic acid
CID 171266509
azane;azepane;terephthalic acid
CID 129314058

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid?
The IUPAC name of 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid (CID 105496132) is 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid?
The canonical SMILES for 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid is O=C(O)c1ccc(C(O)C2CCNCC2)cc1.
What is the InChIKey of 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid?
The InChIKey is SPWSEYIKKAGAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12(10-5-7-14-8-6-10)9-1-3-11(4-2-9)13(16)17/h1-4,10,12,14-15H,5-8H2,(H,16,17).
What are the key properties of 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid?
4-[hydroxy(piperidin-4-yl)methyl]benzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(piperidin-4-yl)methyl]benzoic acid is sourced from PubChem (CID 105496132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).