(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone

C13H15ClFNO — CID 17217403

IUPAC(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C13H15ClFNO/c1-9-4-3-7-16(8-9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyUOIKIELIXQPQLF-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.35
Rot. Bonds1

About (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 17217403) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID17217403
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2c(F)cccc2Cl)C1
InChIInChI=1S/C13H15ClFNO/c1-9-4-3-7-16(8-9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyUOIKIELIXQPQLF-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
N-[[(3S)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95315280
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434
(2-chloro-6-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638999
5-[1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540913
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 108544564
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(2-chloro-6-fluorophenyl)methanone
CID 81100147

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone (CID 17217403) is (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2c(F)cccc2Cl)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UOIKIELIXQPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-9-4-3-7-16(8-9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 255.72 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 17217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).