1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one

C17H32N2O — CID 43747778

IUPAC1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NC2C(C)CCCC2C)CC1
InChIInChI=1S/C17H32N2O/c1-12(2)17(20)19-10-8-15(9-11-19)18-16-13(3)6-5-7-14(16)4/h12-16,18H,5-11H2,1-4H3
InChIKeyWGYLVFUFYIBMKC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 43747778) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID43747778
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NC2C(C)CCCC2C)CC1
InChIInChI=1S/C17H32N2O/c1-12(2)17(20)19-10-8-15(9-11-19)18-16-13(3)6-5-7-14(16)4/h12-16,18H,5-11H2,1-4H3
InChIKeyWGYLVFUFYIBMKC-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
N-(2,6-dimethylcyclohexyl)-1-methylpiperidin-4-amine
CID 43215959
1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 79859942
trans-(2R,6R)-N-cyclopropyl-2,6-dimethylcyclohexan-1-amine
CID 30046667
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999976

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one (CID 43747778) is 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(NC2C(C)CCCC2C)CC1.
What is the InChIKey of 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is WGYLVFUFYIBMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)17(20)19-10-8-15(9-11-19)18-16-13(3)6-5-7-14(16)4/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 43747778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).