6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

C15H28N2O — CID 79852625

IUPAC6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCN1CCN(CC2CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C15H28N2O/c1-4-16-8-10-17(11-9-16)12-13-6-5-7-15(2,3)14(13)18/h13H,4-12H2,1-3H3
InChIKeyYQRBTWAUCYLBQY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds3

About 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79852625) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79852625
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCCN1CCN(CC2CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C15H28N2O/c1-4-16-8-10-17(11-9-16)12-13-6-5-7-15(2,3)14(13)18/h13H,4-12H2,1-3H3
InChIKeyYQRBTWAUCYLBQY-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852371
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
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853340
2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
2,2-dimethyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclohexan-1-one
CID 79842210
6-[(3-hydroxyazetidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 130892360
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
CID 79865698
6-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 81098024
6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 114681871
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
CID 79866688
6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 104691903

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (CID 79852625) is 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is CCN1CCN(CC2CCCC(C)(C)C2=O)CC1.
What is the InChIKey of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is YQRBTWAUCYLBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-16-8-10-17(11-9-16)12-13-6-5-7-15(2,3)14(13)18/h13H,4-12H2,1-3H3.
What are the key properties of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79852625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).