1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one

C15H26F2N2O — CID 176968325

IUPAC1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN2CCC(C)CC2)C(F)(F)C1
InChIInChI=1S/C15H26F2N2O/c1-3-14(20)19-9-6-13(15(16,17)11-19)10-18-7-4-12(2)5-8-18/h12-13H,3-11H2,1-2H3
InChIKeyJMQBFPHTJHVHKK-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.61
Rot. Bonds3

About 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one

1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 176968325) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID176968325
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC Name1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN2CCC(C)CC2)C(F)(F)C1
InChIInChI=1S/C15H26F2N2O/c1-3-14(20)19-9-6-13(15(16,17)11-19)10-18-7-4-12(2)5-8-18/h12-13H,3-11H2,1-2H3
InChIKeyJMQBFPHTJHVHKK-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
N,N'-di-trifluoroacetyl-4,4'-bipiperidine
CID 123597757
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methylpiperidin-1-yl)ethan-1-one
CID 134827931
2,2,3,3-Tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
CID 2933321
1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124291756
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone;hydrochloride
CID 127021233
1-Methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
CID 128926278
2,2,2-Trifluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 3464522
1-(4-Ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 23381377

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 176968325) is 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CN2CCC(C)CC2)C(F)(F)C1.
What is the InChIKey of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is JMQBFPHTJHVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c1-3-14(20)19-9-6-13(15(16,17)11-19)10-18-7-4-12(2)5-8-18/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one?
1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 288.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176968325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).