2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone

C14H17ClFNO — CID 25252634

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO/c1-10-5-2-3-8-17(10)14(18)9-11-12(15)6-4-7-13(11)16/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyNJTZROZXNLCYGR-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.42
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 25252634) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID25252634
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO/c1-10-5-2-3-8-17(10)14(18)9-11-12(15)6-4-7-13(11)16/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyNJTZROZXNLCYGR-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705208
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-(2-chloro-6-fluorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61411008
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 51550766
2-(2-chloro-6-fluorophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 39807762
2-(2-chloro-6-fluorophenyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 42942672
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 129492142
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]ethanone
CID 92877716
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
2-(2-chloro-6-fluorophenyl)-1-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]ethanone
CID 128965093
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129349691
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone (CID 25252634) is 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is NJTZROZXNLCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-10-5-2-3-8-17(10)14(18)9-11-12(15)6-4-7-13(11)16/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 25252634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).