1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one

C18H32F2N2O — CID 165059219

IUPAC1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1
InChIInChI=1S/C18H32F2N2O/c1-13(2)16(23)11-15-5-8-21(9-6-15)17-7-10-22(14(3)4)12-18(17,19)20/h13-15,17H,5-12H2,1-4H3
InChIKeyBVHQRPIHLHPPMX-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.43
Rot. Bonds5

About 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one

1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one (PubChem CID 165059219) has the molecular formula C18H32F2N2O and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
PubChem CID165059219
Molecular FormulaC18H32F2N2O
Molecular Weight330.46 g/mol
Exact Mass330.25
IUPAC Name1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one
SMILESCC(C)C(=O)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1
InChIInChI=1S/C18H32F2N2O/c1-13(2)16(23)11-15-5-8-21(9-6-15)17-7-10-22(14(3)4)12-18(17,19)20/h13-15,17H,5-12H2,1-4H3
InChIKeyBVHQRPIHLHPPMX-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
CID 154671509
bis(1-[3,3-difluoro-1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-3-methylbutan-2-one);1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;N-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpropanamide;1-[3-fluoro-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-yl]-3-methylbutan-2-one;3-methyl-1-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]butan-2-one
CID 167679984
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796831
ethane;1-[(4S)-1-(4-ethylcyclohexyl)-3,3-difluoropiperidin-4-yl]-4-propan-2-ylpiperazine
CID 176559274
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
1-(6-propan-2-yl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010419
(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
1-[3,3-difluoro-1-(6-propylspiro[3.3]heptan-2-yl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 176558403

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one (CID 165059219) is 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one is CC(C)C(=O)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.
What is the InChIKey of 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one?
The InChIKey is BVHQRPIHLHPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N2O/c1-13(2)16(23)11-15-5-8-21(9-6-15)17-7-10-22(14(3)4)12-18(17,19)20/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one?
1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one has a molecular weight of 330.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-3-methylbutan-2-one is sourced from PubChem (CID 165059219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).