2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one

C15H27NO — CID 62612344

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H27NO/c1-11-4-5-15(17)14(7-11)10-16-8-12(2)6-13(3)9-16/h11-14H,4-10H2,1-3H3
InChIKeyALLSCFGIQGYSNW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds2

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one

2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one (PubChem CID 62612344) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one
PubChem CID62612344
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H27NO/c1-11-4-5-15(17)14(7-11)10-16-8-12(2)6-13(3)9-16/h11-14H,4-10H2,1-3H3
InChIKeyALLSCFGIQGYSNW-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pimeclone
CID 197861
Pimeclone hydrochloride
CID 197860
2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
CID 359482
2,6-Bis((dimethylamino)methyl)cyclohexanone
CID 358900
2-((Dimethylamino)methyl)cyclohexanone
CID 85838
2,6-Bis-(dimethylaminomethyl)-cyclohexanone dihydrochloride
CID 358899
2,6-Bis(piperidinomethyl)cyclohexanone
CID 236587
Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide
CID 360569
N,N,N-trimethyl(2-oxocyclohexyl)methanaminium
CID 359484
3-Methyl-3-azabicyclo[3.3.1]nonan-9-one
CID 541498
2,6-Bis(piperidin-1-ylmethyl)cyclohexan-1-one;hydrobromide
CID 373669
Cyclohexanone, dihydrochloride
CID 382272

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one (CID 62612344) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one is CC1CCC(=O)C(CN2CC(C)CC(C)C2)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one?
The InChIKey is ALLSCFGIQGYSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-4-5-15(17)14(7-11)10-16-8-12(2)6-13(3)9-16/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one has a molecular weight of 237.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 62612344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).