1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C18H33FN2O — CID 177302132

IUPAC1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(F)(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H33FN2O/c1-14(2)17(22)21-11-7-18(19,8-12-21)13-16-5-9-20(10-6-16)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyLUXWUAHZLTZZDB-UHFFFAOYSA-N
MW312.47 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 177302132) has the molecular formula C18H33FN2O and a molecular weight of 312.47 g/mol. Its IUPAC name is 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID177302132
Molecular FormulaC18H33FN2O
Molecular Weight312.47 g/mol
Exact Mass312.26
IUPAC Name1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(F)(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H33FN2O/c1-14(2)17(22)21-11-7-18(19,8-12-21)13-16-5-9-20(10-6-16)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyLUXWUAHZLTZZDB-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

[1-(Cyclohexylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 3148936
[1-(Cyclohexylmethyl)piperidin-4-yl](4-methylpiperidin-1-yl)methanone
CID 3148941
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[(2S)-4-fluoro-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 118303140
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
1-[(2S,4S)-4-fluoro-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 124192520
1-[(3R)-5-ethyl-2,3-dimethylpiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 126679401
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
1-[(2R,4R)-4-(fluoromethyl)-2-methylpiperidin-1-yl]ethanone
CID 126758420
1-[4-Fluoro-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 144898903
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 177302132) is 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(F)(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LUXWUAHZLTZZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2O/c1-14(2)17(22)21-11-7-18(19,8-12-21)13-16-5-9-20(10-6-16)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 312.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 177302132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).