2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone

C13H15ClFNO — CID 102622045

IUPAC2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1cc(F)ccc1Cl)C1CCNCC1
InChIInChI=1S/C13H15ClFNO/c14-12-2-1-11(15)7-10(12)8-13(17)9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKeyPCXXHVMLKIUWML-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.59
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone

2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone (PubChem CID 102622045) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone
PubChem CID102622045
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1cc(F)ccc1Cl)C1CCNCC1
InChIInChI=1S/C13H15ClFNO/c14-12-2-1-11(15)7-10(12)8-13(17)9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKeyPCXXHVMLKIUWML-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorobenzoyl)piperidine
CID 2724440
4-(4-Chlorobenzoyl)Piperidine
CID 2777115
p-Fluorophenyl 4-piperidyl ketone hydrochloride
CID 3084438
Ethanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 41069
1-Propanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 204159
(2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride
CID 18759874
1-Butanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 41071
1-Pentanone, 1-(4-(3-chlorophenyl)-4-piperidinyl)-, hydrochloride
CID 3041621
4-(4-Chlorobenzoyl)piperidine hydrochloride
CID 2777114
4-(2,5-Difluorobenzoyl)piperidine hydrochloride
CID 42943778
Methanone, (3,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)
CID 46738056
4-(2-Chlorobenzoyl)piperidine hydrochloride
CID 68756994

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone (CID 102622045) is 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone is O=C(Cc1cc(F)ccc1Cl)C1CCNCC1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone?
The InChIKey is PCXXHVMLKIUWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-12-2-1-11(15)7-10(12)8-13(17)9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone?
2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone has a molecular weight of 255.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 102622045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).