1-(2-hydroxyphenyl)piperidine-3-carboxylic acid

C12H15NO3 — CID 115032530

IUPAC1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ccccc2O)C1
InChIInChI=1S/C12H15NO3/c14-11-6-2-1-5-10(11)13-7-3-4-9(8-13)12(15)16/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16)
InChIKeyGVBYCWDSWSSRDJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.69
Rot. Bonds2

About 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid

1-(2-hydroxyphenyl)piperidine-3-carboxylic acid (PubChem CID 115032530) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
PubChem CID115032530
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ccccc2O)C1
InChIInChI=1S/C12H15NO3/c14-11-6-2-1-5-10(11)13-7-3-4-9(8-13)12(15)16/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16)
InChIKeyGVBYCWDSWSSRDJ-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830
1-[2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxylic acid
CID 67620401
(3S)-1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 51373554
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid (CID 115032530) is 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ccccc2O)C1.
What is the InChIKey of 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid?
The InChIKey is GVBYCWDSWSSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11-6-2-1-5-10(11)13-7-3-4-9(8-13)12(15)16/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16).
What are the key properties of 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid?
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 115032530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).