1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C16H28F2N2O — CID 176739850

IUPAC1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CCN(CC2CCN(C(=O)C(C)C)CC2(F)F)CC1
InChIInChI=1S/C16H28F2N2O/c1-12(2)15(21)20-9-6-14(16(17,18)11-20)10-19-7-4-13(3)5-8-19/h12-14H,4-11H2,1-3H3
InChIKeyJCFLCFYAWXBRLH-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.86
Rot. Bonds3

About 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 176739850) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID176739850
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CCN(CC2CCN(C(=O)C(C)C)CC2(F)F)CC1
InChIInChI=1S/C16H28F2N2O/c1-12(2)15(21)20-9-6-14(16(17,18)11-20)10-19-7-4-13(3)5-8-19/h12-14H,4-11H2,1-3H3
InChIKeyJCFLCFYAWXBRLH-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
3,3,3-Trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one
CID 51076749
2-Methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 53513580
2,2-Dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 57658017
1-[4-(1,1-Difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 59553926

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 176739850) is 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC1CCN(CC2CCN(C(=O)C(C)C)CC2(F)F)CC1.
What is the InChIKey of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is JCFLCFYAWXBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-12(2)15(21)20-9-6-14(16(17,18)11-20)10-19-7-4-13(3)5-8-19/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[3,3-difluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 302.41 g/mol, XLogP of 2.86, 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]-2-methylpropan-1-one is sourced from PubChem (CID 176739850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).