trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol

C11H22N2O — CID 13447994

IUPACtrans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
SMILESCN1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C11H22N2O/c1-12-6-8-13(9-7-12)10-4-2-3-5-11(10)14/h10-11,14H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyXNPIZFXPYIILPL-GHMZBOCLSA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds1

About trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 13447994) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID13447994
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nametrans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
SMILESCN1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C11H22N2O/c1-12-6-8-13(9-7-12)10-4-2-3-5-11(10)14/h10-11,14H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyXNPIZFXPYIILPL-GHMZBOCLSA-N
XLogP0.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol (CID 13447994) is trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol is CN1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is XNPIZFXPYIILPL-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-6-8-13(9-7-12)10-4-2-3-5-11(10)14/h10-11,14H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 13447994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).