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

C13H15ClFNO2 — CID 174656841

IUPAC2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(c2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H15ClFNO2/c14-9-1-2-10(11(15)7-9)12-5-8(3-4-16-12)6-13(17)18/h1-2,7-8,12,16H,3-6H2,(H,17,18)
InChIKeyDJRALPYJSOUGEH-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.99
Rot. Bonds3

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

2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid (PubChem CID 174656841) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid
PubChem CID174656841
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(c2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H15ClFNO2/c14-9-1-2-10(11(15)7-9)12-5-8(3-4-16-12)6-13(17)18/h1-2,7-8,12,16H,3-6H2,(H,17,18)
InChIKeyDJRALPYJSOUGEH-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
CID 174645024
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722897
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2S)-2-(4-chloro-2-fluorophenyl)aziridine
CID 55264086
2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722870
1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
CID 114863265
2-[[2-(2,4-difluorophenyl)piperidin-4-yl]amino]acetamide
CID 22615440
2-[(2S,3R)-2-(3-chlorophenyl)pyrrolidin-3-yl]acetic acid
CID 96591784
methyl 2-[(2S,4S)-2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidin-4-yl]acetate
CID 178162750
3-fluoro-4-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 66519532
[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
CID 175272378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid (CID 174656841) is 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(c2ccc(Cl)cc2F)C1.
What is the InChIKey of 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid?
The InChIKey is DJRALPYJSOUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-9-1-2-10(11(15)7-9)12-5-8(3-4-16-12)6-13(17)18/h1-2,7-8,12,16H,3-6H2,(H,17,18).
What are the key properties of 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid?
2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid has a molecular weight of 271.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 174656841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).