(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone

C17H24FNO — CID 106883026

IUPAC(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2c(C)cc(C)cc2F)CCCNC1
InChIInChI=1S/C17H24FNO/c1-4-6-17(7-5-8-19-11-17)16(20)15-13(3)9-12(2)10-14(15)18/h9-10,19H,4-8,11H2,1-3H3
InChIKeyQXMUEHUPLJGHGU-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.80
Rot. Bonds4

About (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 106883026) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID106883026
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2c(C)cc(C)cc2F)CCCNC1
InChIInChI=1S/C17H24FNO/c1-4-6-17(7-5-8-19-11-17)16(20)15-13(3)9-12(2)10-14(15)18/h9-10,19H,4-8,11H2,1-3H3
InChIKeyQXMUEHUPLJGHGU-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propylpiperidin-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 59744658
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568708
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106882968
1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
CID 114736555
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106880858
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone (CID 106883026) is (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2c(C)cc(C)cc2F)CCCNC1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is QXMUEHUPLJGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-4-6-17(7-5-8-19-11-17)16(20)15-13(3)9-12(2)10-14(15)18/h9-10,19H,4-8,11H2,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 277.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 106883026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).