4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid

C14H19NO3 — CID 66622737

IUPAC4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)CC2)ccc1CO
InChIInChI=1S/C14H19NO3/c1-10-8-12(2-3-13(10)9-16)11-4-6-15(7-5-11)14(17)18/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyQWWXNPLSVYVGJZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.34
Rot. Bonds2

About 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid

4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid (PubChem CID 66622737) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
PubChem CID66622737
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)CC2)ccc1CO
InChIInChI=1S/C14H19NO3/c1-10-8-12(2-3-13(10)9-16)11-4-6-15(7-5-11)14(17)18/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyQWWXNPLSVYVGJZ-UHFFFAOYSA-N
XLogP2.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
tert-butyl 4-[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-3-methylphenyl]piperidine-1-carboxylate
CID 140797281
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
4-[2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzoic acid
CID 166275386
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
CID 174789377
4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
CID 146575356
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid (CID 66622737) is 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid is Cc1cc(C2CCN(C(=O)O)CC2)ccc1CO.
What is the InChIKey of 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid?
The InChIKey is QWWXNPLSVYVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-8-12(2-3-13(10)9-16)11-4-6-15(7-5-11)14(17)18/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid?
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66622737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).