(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

C14H16ClF2NO — CID 600139

IUPAC(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H16ClF2NO/c1-8-4-3-5-9(2)18(8)14(19)10-6-12(16)13(17)7-11(10)15/h6-9H,3-5H2,1-2H3
InChIKeyDBXULEVUJTZVCI-UHFFFAOYSA-N
MW287.74 g/mol
LogP4.02
Rot. Bonds1

About (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 600139) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID600139
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H16ClF2NO/c1-8-4-3-5-9(2)18(8)14(19)10-6-12(16)13(17)7-11(10)15/h6-9H,3-5H2,1-2H3
InChIKeyDBXULEVUJTZVCI-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 738722
(2-chloro-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 885739
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
(2-chloro-4,5-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 29056304
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 105380192
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
1-(2-chloro-4,5-difluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069594
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816431
(2-chloro-4,5-difluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 91830057

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 600139) is (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is DBXULEVUJTZVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c1-8-4-3-5-9(2)18(8)14(19)10-6-12(16)13(17)7-11(10)15/h6-9H,3-5H2,1-2H3.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone?
(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 287.74 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 600139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).