1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid

C13H17NO3 — CID 65054111

IUPAC1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(O)c1
InChIInChI=1S/C13H17NO3/c15-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)13(16)17/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,17)
InChIKeyNIXOQFMMZMMZNL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.83
Rot. Bonds3

About 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid

1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 65054111) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID65054111
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(O)c1
InChIInChI=1S/C13H17NO3/c15-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)13(16)17/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,17)
InChIKeyNIXOQFMMZMMZNL-UHFFFAOYSA-N
XLogP1.83
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-[[3-(3-cyanopropoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040326
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
(2S)-1-[(3-ethyl-4-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 134313054
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
1-[[3-hydroxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040384
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid (CID 65054111) is 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cccc(O)c1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is NIXOQFMMZMMZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)13(16)17/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,17).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 65054111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).