2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol

C17H26N2O — CID 15925877

IUPAC2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCCCC2O)CCN1c1ccccc1
InChIInChI=1S/C17H26N2O/c1-14-13-18(16-9-5-6-10-17(16)20)11-12-19(14)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3
InChIKeyIKPMULIIVRGEMT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds2

About 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol

2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 15925877) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID15925877
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol
SMILESCC1CN(C2CCCCC2O)CCN1c1ccccc1
InChIInChI=1S/C17H26N2O/c1-14-13-18(16-9-5-6-10-17(16)20)11-12-19(14)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3
InChIKeyIKPMULIIVRGEMT-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dropropizine
CID 3169
Levodropropizine
CID 65859
1-Piperazineethanol, 4-phenyl-
CID 96699
2-Propanol, 1-diphenylamino-
CID 98335
1-(Cyclohexyloxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 2933098
(2R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol
CID 688451
1-Propanaminium, 3-(diphenylamino)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide, (+-)-
CID 3064865
2-(4-Phenyl-piperazin-1-yl)-cyclohexanol
CID 15925788
trans-(1R,2R)-2-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
CID 15925789
2-(4-o-Tolyl-piperazin-1-yl)-cyclohexanol
CID 15925813
2-[4-(4-Dimethylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925824
2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-cyclohexanol
CID 15925887

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol (CID 15925877) is 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol is CC1CN(C2CCCCC2O)CCN1c1ccccc1.
What is the InChIKey of 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is IKPMULIIVRGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-13-18(16-9-5-6-10-17(16)20)11-12-19(14)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,20H,5-6,9-13H2,1H3.
What are the key properties of 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol?
2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-phenylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).