6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one

C17H32N2O2 — CID 79842208

IUPAC6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC(C)(O)CN1CCN(CC2CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2)7-5-6-14(15(16)20)12-18-8-10-19(11-9-18)13-17(3,4)21/h14,21H,5-13H2,1-4H3
InChIKeyPSJIHNRVEIQWFN-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.77
Rot. Bonds4

About 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one

6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79842208) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79842208
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC(C)(O)CN1CCN(CC2CCCC(C)(C)C2=O)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2)7-5-6-14(15(16)20)12-18-8-10-19(11-9-18)13-17(3,4)21/h14,21H,5-13H2,1-4H3
InChIKeyPSJIHNRVEIQWFN-UHFFFAOYSA-N
XLogP1.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one (CID 79842208) is 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one is CC(C)(O)CN1CCN(CC2CCCC(C)(C)C2=O)CC1.
What is the InChIKey of 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is PSJIHNRVEIQWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2)7-5-6-14(15(16)20)12-18-8-10-19(11-9-18)13-17(3,4)21/h14,21H,5-13H2,1-4H3.
What are the key properties of 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 296.45 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79842208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).