2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid

C14H19NO3 — CID 115462681

IUPAC2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CN1CCCC(O)C1
InChIInChI=1S/C14H19NO3/c16-13-6-3-7-15(10-13)9-12-5-2-1-4-11(12)8-14(17)18/h1-2,4-5,13,16H,3,6-10H2,(H,17,18)
InChIKeyWZGMBWHAZQJGII-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid

2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid (PubChem CID 115462681) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
PubChem CID115462681
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CN1CCCC(O)C1
InChIInChI=1S/C14H19NO3/c16-13-6-3-7-15(10-13)9-12-5-2-1-4-11(12)8-14(17)18/h1-2,4-5,13,16H,3,6-10H2,(H,17,18)
InChIKeyWZGMBWHAZQJGII-UHFFFAOYSA-N
XLogP1.27
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
2-[2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 113314722
(3R)-1-benzylazepan-3-ol
CID 124585423
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
CID 24904595
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid (CID 115462681) is 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CN1CCCC(O)C1.
What is the InChIKey of 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid?
The InChIKey is WZGMBWHAZQJGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-6-3-7-15(10-13)9-12-5-2-1-4-11(12)8-14(17)18/h1-2,4-5,13,16H,3,6-10H2,(H,17,18).
What are the key properties of 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid?
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 115462681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).