4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid

C14H19NO3 — CID 56880244

IUPAC4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1CN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-11-4-2-3-5-12(11)10-15-8-6-14(18,7-9-15)13(16)17/h2-5,18H,6-10H2,1H3,(H,16,17)
InChIKeyPTSNGBDTSFOZDL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds3

About 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid

4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 56880244) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID56880244
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1CN1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-11-4-2-3-5-12(11)10-15-8-6-14(18,7-9-15)13(16)17/h2-5,18H,6-10H2,1H3,(H,16,17)
InChIKeyPTSNGBDTSFOZDL-UHFFFAOYSA-N
XLogP1.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50914983
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]butanoic acid
CID 98020260
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
1-[(2,4-dimethylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65065050
2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55573054
4-hydroxy-1-(2-methylphenyl)azepane-4-carboxylic acid
CID 115055686
4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 119250894

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 56880244) is 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid is Cc1ccccc1CN1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is PTSNGBDTSFOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-4-2-3-5-12(11)10-15-8-6-14(18,7-9-15)13(16)17/h2-5,18H,6-10H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56880244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).