(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone

C15H19F2NO — CID 116568708

IUPAC(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2c(F)ccc(C)c2F)CCCNC1
InChIInChI=1S/C15H19F2NO/c1-3-15(7-4-8-18-9-15)14(19)12-11(16)6-5-10(2)13(12)17/h5-6,18H,3-4,7-9H2,1-2H3
InChIKeySVXLQYAMFIZIMW-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.24
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone

(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 116568708) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID116568708
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2c(F)ccc(C)c2F)CCCNC1
InChIInChI=1S/C15H19F2NO/c1-3-15(7-4-8-18-9-15)14(19)12-11(16)6-5-10(2)13(12)17/h5-6,18H,3-4,7-9H2,1-2H3
InChIKeySVXLQYAMFIZIMW-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
CID 116570430
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 106883026
(2,6-difluoro-3-methylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447852
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
CID 107641764
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
2-(3-bromo-4-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568586
[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone (CID 116568708) is (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)c2c(F)ccc(C)c2F)CCCNC1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is SVXLQYAMFIZIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-3-15(7-4-8-18-9-15)14(19)12-11(16)6-5-10(2)13(12)17/h5-6,18H,3-4,7-9H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 267.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 116568708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).