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

C11H22N2O — CID 129365578

IUPACcis-(1S,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-MNOVXSKESA-N
MW198.31 g/mol
LogP0.54
Rot. Bonds1

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

cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 129365578) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID129365578
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Namecis-(1S,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-MNOVXSKESA-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 cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol (CID 129365578) is cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol is CN1CCN([C@@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is XNPIZFXPYIILPL-MNOVXSKESA-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 cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
cis-(1S,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 cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 129365578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).