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

C13H17NO4 — CID 175280270

IUPAC4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(Cc2ccccc2O)CC1
InChIInChI=1S/C13H17NO4/c15-11-4-2-1-3-10(11)9-13(18)5-7-14(8-6-13)12(16)17/h1-4,15,18H,5-9H2,(H,16,17)
InChIKeyVOCZAKJSCTWFKP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.44
Rot. Bonds2

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

4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 175280270) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
PubChem CID175280270
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(Cc2ccccc2O)CC1
InChIInChI=1S/C13H17NO4/c15-11-4-2-1-3-10(11)9-13(18)5-7-14(8-6-13)12(16)17/h1-4,15,18H,5-9H2,(H,16,17)
InChIKeyVOCZAKJSCTWFKP-UHFFFAOYSA-N
XLogP1.44
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
CID 118271940
3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323165
1-[4-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 139010073
4-[[benzenesulfonyl(methyl)amino]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 126527358
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
CID 91426619
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
CID 117321380
2-(2-fluorophenyl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]ethanone
CID 95715359
4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid
CID 154352659
2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]phenol
CID 105480737
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid (CID 175280270) is 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(O)(Cc2ccccc2O)CC1.
What is the InChIKey of 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is VOCZAKJSCTWFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-11-4-2-1-3-10(11)9-13(18)5-7-14(8-6-13)12(16)17/h1-4,15,18H,5-9H2,(H,16,17).
What are the key properties of 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid?
4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175280270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).