[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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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).