2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid

C13H16FNO2 — CID 174645024

IUPAC2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-10(2-4-11)12-7-9(5-6-15-12)8-13(16)17/h1-4,9,12,15H,5-8H2,(H,16,17)
InChIKeySCHVSERLGXGPLY-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid

2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid (PubChem CID 174645024) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
PubChem CID174645024
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-10(2-4-11)12-7-9(5-6-15-12)8-13(16)17/h1-4,9,12,15H,5-8H2,(H,16,17)
InChIKeySCHVSERLGXGPLY-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid
CID 174656841
(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
CID 67506323
2-[(1R,3S,4R)-4-amino-3-(4-fluorophenyl)cyclohexyl]acetic acid
CID 123536470
ethane;methyl 2-[2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 143569533
2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722870
2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722897
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
4-(cyclopropylmethyl)-2-phenylpiperidine
CID 174205891
methyl 4-[(2R,4R)-4-ethylpiperidin-2-yl]benzoate
CID 125468766
2-[(2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetic acid
CID 68961064
4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
CID 82656489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid (CID 174645024) is 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid?
The InChIKey is SCHVSERLGXGPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-3-1-10(2-4-11)12-7-9(5-6-15-12)8-13(16)17/h1-4,9,12,15H,5-8H2,(H,16,17).
What are the key properties of 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid?
2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 174645024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).