4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid

C13H17NO3 — CID 166759957

IUPAC4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1ccc(C2CCN(C(=O)O)CC2)cc1O
InChIInChI=1S/C13H17NO3/c1-9-2-3-11(8-12(9)15)10-4-6-14(7-5-10)13(16)17/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)
InChIKeyIXBUBYZPZROKIF-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.56
Rot. Bonds1

About 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid

4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid (PubChem CID 166759957) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
PubChem CID166759957
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1ccc(C2CCN(C(=O)O)CC2)cc1O
InChIInChI=1S/C13H17NO3/c1-9-2-3-11(8-12(9)15)10-4-6-14(7-5-10)13(16)17/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)
InChIKeyIXBUBYZPZROKIF-UHFFFAOYSA-N
XLogP2.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
4-(4,7-dimethyl-1-benzofuran-2-yl)piperidine-1-carboxylic acid
CID 23312229
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
4-(3-iodo-2H-indazol-5-yl)piperidine-1-carboxylic acid
CID 67981320
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
CID 146575356

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid (CID 166759957) is 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid is Cc1ccc(C2CCN(C(=O)O)CC2)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid?
The InChIKey is IXBUBYZPZROKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-2-3-11(8-12(9)15)10-4-6-14(7-5-10)13(16)17/h2-3,8,10,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid?
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 166759957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).