(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone

C15H20FNO — CID 115872321

IUPAC(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C(C)C2)ccc1F
InChIInChI=1S/C15H20FNO/c1-10-6-7-17(9-12(10)3)15(18)13-4-5-14(16)11(2)8-13/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyZKVOUAFDECWHBN-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.25
Rot. Bonds1

About (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone

(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 115872321) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID115872321
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C(C)C2)ccc1F
InChIInChI=1S/C15H20FNO/c1-10-6-7-17(9-12(10)3)15(18)13-4-5-14(16)11(2)8-13/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyZKVOUAFDECWHBN-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
(3-bromopyrrolidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80677888
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-fluoro-3-methylphenyl)methanone
CID 99596896
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79993239
2-(4-fluoro-3-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857067

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone (CID 115872321) is (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCC(C)C(C)C2)ccc1F.
What is the InChIKey of (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is ZKVOUAFDECWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10-6-7-17(9-12(10)3)15(18)13-4-5-14(16)11(2)8-13/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 249.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 115872321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).