2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one

C15H25F3N2O — CID 145287074

IUPAC2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-11(2)14(21)19-8-5-13(6-9-19)20-7-3-4-12(10-20)15(16,17)18/h11-13H,3-10H2,1-2H3
InChIKeyFVBVKHHUMJNION-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.91
Rot. Bonds2

About 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 145287074) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID145287074
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-11(2)14(21)19-8-5-13(6-9-19)20-7-3-4-12(10-20)15(16,17)18/h11-13H,3-10H2,1-2H3
InChIKeyFVBVKHHUMJNION-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(4-(piperidin-1-yl)piperidin-1-yl)ethanone
CID 24744899
N-[(1-cyclopentyl-3-piperidinyl)methyl]-4,4,4-trifluoro-N-[2-(1-piperidinyl)ethyl]butanamide
CID 45227748
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100740257
1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124291756
[1-(2,2-Difluoroethyl)piperidin-3-yl]-(2,4,5-trimethylpiperazin-1-yl)methanone
CID 132318448
2,2,3,3,3-Pentafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 108094617
2-Methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 53513580
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
3-Methyl-1-(2-(trifluoromethyl)piperidin-1-yl)butan-1-one
CID 92092476
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
1-(3-Azabicyclo[3.1.1]heptan-3-yl)-2,2-difluoro-3-methylbutan-1-one
CID 118459103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one (CID 145287074) is 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(N2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FVBVKHHUMJNION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11(2)14(21)19-8-5-13(6-9-19)20-7-3-4-12(10-20)15(16,17)18/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 306.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 145287074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).