1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol

C16H32N2O — CID 64730542

IUPAC1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CC(C)CC(N2CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C16H32N2O/c1-13-9-14(2)11-15(10-13)18-7-5-17(6-8-18)12-16(3,4)19/h13-15,19H,5-12H2,1-4H3
InChIKeyMEFCMGLDXJOYRT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds3

About 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 64730542) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID64730542
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CC(C)CC(N2CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C16H32N2O/c1-13-9-14(2)11-15(10-13)18-7-5-17(6-8-18)12-16(3,4)19/h13-15,19H,5-12H2,1-4H3
InChIKeyMEFCMGLDXJOYRT-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol (CID 64730542) is 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol is CC1CC(C)CC(N2CCN(CC(C)(C)O)CC2)C1.
What is the InChIKey of 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is MEFCMGLDXJOYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-9-14(2)11-15(10-13)18-7-5-17(6-8-18)12-16(3,4)19/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 64730542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).