3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

C17H24FNO — CID 115996491

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC1CC(C)CN(CC(C)C(=O)c2ccccc2F)C1
InChIInChI=1S/C17H24FNO/c1-12-8-13(2)10-19(9-12)11-14(3)17(20)15-6-4-5-7-16(15)18/h4-7,12-14H,8-11H2,1-3H3
InChIKeyJKLIMZCSEQGZLR-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.62
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 115996491) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID115996491
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC1CC(C)CN(CC(C)C(=O)c2ccccc2F)C1
InChIInChI=1S/C17H24FNO/c1-12-8-13(2)10-19(9-12)11-14(3)17(20)15-6-4-5-7-16(15)18/h4-7,12-14H,8-11H2,1-3H3
InChIKeyJKLIMZCSEQGZLR-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996598
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 16782880
2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid
CID 20987682
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 115996491) is 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is CC1CC(C)CN(CC(C)C(=O)c2ccccc2F)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is JKLIMZCSEQGZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-8-13(2)10-19(9-12)11-14(3)17(20)15-6-4-5-7-16(15)18/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 115996491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).