[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate

C13H15ClFNO2 — CID 175272378

IUPAC[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCNC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H15ClFNO2/c1-8(17)18-10-4-5-16-13(7-10)11-3-2-9(15)6-12(11)14/h2-3,6,10,13,16H,4-5,7H2,1H3
InChIKeyNCHWANASPKRAPL-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.84
Rot. Bonds2

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

[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate (PubChem CID 175272378) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
PubChem CID175272378
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCNC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H15ClFNO2/c1-8(17)18-10-4-5-16-13(7-10)11-3-2-9(15)6-12(11)14/h2-3,6,10,13,16H,4-5,7H2,1H3
InChIKeyNCHWANASPKRAPL-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(trifluoromethyl)phenyl]piperidin-4-yl] acetate
CID 174645067
[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
CID 174645078
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
dimethyl 2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylate;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 162092676
2-[(2R,4R)-2-(2-chloro-4-fluorophenyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 141283135
2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylic acid;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 66731695
methyl 2-[(2S)-azetidin-2-yl]-5-fluorobenzoate
CID 131550925
2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
[(2R,3S)-2-[(2-chloro-6-fluoro-1H-indol-3-yl)methyl]pyrrolidin-3-yl] acetate
CID 58525414
methyl 5-(2-chloro-4-fluorophenyl)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 65170891
2-[2-(4-chloro-2-fluorophenyl)piperidin-4-yl]acetic acid
CID 174656841

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate (CID 175272378) is [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate is CC(=O)OC1CCNC(c2ccc(F)cc2Cl)C1.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate?
The InChIKey is NCHWANASPKRAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-8(17)18-10-4-5-16-13(7-10)11-3-2-9(15)6-12(11)14/h2-3,6,10,13,16H,4-5,7H2,1H3.
What are the key properties of [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate?
[2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate has a molecular weight of 271.72 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)piperidin-4-yl] acetate is sourced from PubChem (CID 175272378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).