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

C13H16FNO3 — CID 117002649

IUPAC2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid
SMILESO=C(O)CC1(O)CCCN(c2ccccc2F)C1
InChIInChI=1S/C13H16FNO3/c14-10-4-1-2-5-11(10)15-7-3-6-13(18,9-15)8-12(16)17/h1-2,4-5,18H,3,6-9H2,(H,16,17)
InChIKeyADMQPTHSHHWWOC-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.63
Rot. Bonds3

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

2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid (PubChem CID 117002649) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid
PubChem CID117002649
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid
SMILESO=C(O)CC1(O)CCCN(c2ccccc2F)C1
InChIInChI=1S/C13H16FNO3/c14-10-4-1-2-5-11(10)15-7-3-6-13(18,9-15)8-12(16)17/h1-2,4-5,18H,3,6-9H2,(H,16,17)
InChIKeyADMQPTHSHHWWOC-UHFFFAOYSA-N
XLogP1.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
1-(2-fluorophenyl)-3-methylazetidin-3-ol
CID 173302434
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide
CID 167923380
1-[9-[[1-(2-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 110066231
2-(2-fluorophenyl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]ethanone
CID 95715359
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107023624
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzoic acid
CID 138986330
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid (CID 117002649) is 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid is O=C(O)CC1(O)CCCN(c2ccccc2F)C1.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid?
The InChIKey is ADMQPTHSHHWWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-10-4-1-2-5-11(10)15-7-3-6-13(18,9-15)8-12(16)17/h1-2,4-5,18H,3,6-9H2,(H,16,17).
What are the key properties of 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid?
2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid has a molecular weight of 253.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3-hydroxypiperidin-3-yl]acetic acid is sourced from PubChem (CID 117002649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).