2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol

C17H26N2O — CID 15925813

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol
SMILESCc1ccccc1N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H26N2O/c1-14-6-2-3-7-15(14)18-10-12-19(13-11-18)16-8-4-5-9-17(16)20/h2-3,6-7,16-17,20H,4-5,8-13H2,1H3
InChIKeyACALOSHDKAFXKD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.42
Rot. Bonds2

About 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol

2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol (PubChem CID 15925813) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol
PubChem CID15925813
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol
SMILESCc1ccccc1N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H26N2O/c1-14-6-2-3-7-15(14)18-10-12-19(13-11-18)16-8-4-5-9-17(16)20/h2-3,6-7,16-17,20H,4-5,8-13H2,1H3
InChIKeyACALOSHDKAFXKD-UHFFFAOYSA-N
XLogP2.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol (CID 15925813) is 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol is Cc1ccccc1N1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is ACALOSHDKAFXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-2-3-7-15(14)18-10-12-19(13-11-18)16-8-4-5-9-17(16)20/h2-3,6-7,16-17,20H,4-5,8-13H2,1H3.
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol?
2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).