6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

C16H30N2O — CID 79853340

IUPAC6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCC1CN(CC2CCCC(C)(C)C2=O)CCN1C
InChIInChI=1S/C16H30N2O/c1-5-14-12-18(10-9-17(14)4)11-13-7-6-8-16(2,3)15(13)19/h13-14H,5-12H2,1-4H3
InChIKeyAIVFHNNQUKDRBE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds3

About 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79853340) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79853340
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCC1CN(CC2CCCC(C)(C)C2=O)CCN1C
InChIInChI=1S/C16H30N2O/c1-5-14-12-18(10-9-17(14)4)11-13-7-6-8-16(2,3)15(13)19/h13-14H,5-12H2,1-4H3
InChIKeyAIVFHNNQUKDRBE-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852625
6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852371
6-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 81098024
6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 104691903
6-[(3-hydroxyazetidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 130892360
6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 114681871
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one
CID 79842196
6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one
CID 79842208
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 63634778
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
CID 79865698
2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 83062606
2,2-dimethyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclohexan-1-one
CID 79842210

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (CID 79853340) is 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is CCC1CN(CC2CCCC(C)(C)C2=O)CCN1C.
What is the InChIKey of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is AIVFHNNQUKDRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-14-12-18(10-9-17(14)4)11-13-7-6-8-16(2,3)15(13)19/h13-14H,5-12H2,1-4H3.
What are the key properties of 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79853340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).