cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone

C17H32N2O — CID 82249108

IUPACcyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CNC(C)(C)CN1C(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O/c1-13(2)10-15-11-18-17(3,4)12-19(15)16(20)14-8-6-5-7-9-14/h13-15,18H,5-12H2,1-4H3
InChIKeyOOXKIGFXAJDKOX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds3

About cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone

cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82249108) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82249108
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Namecyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CC1CNC(C)(C)CN1C(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O/c1-13(2)10-15-11-18-17(3,4)12-19(15)16(20)14-8-6-5-7-9-14/h13-15,18H,5-12H2,1-4H3
InChIKeyOOXKIGFXAJDKOX-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone (CID 82249108) is cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CC1CNC(C)(C)CN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is OOXKIGFXAJDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)10-15-11-18-17(3,4)12-19(15)16(20)14-8-6-5-7-9-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone?
cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82249108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).