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

C15H30N2O — CID 55116494

IUPAC2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)CN1CCN(CC2CCCCC2O)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)11-16-7-9-17(10-8-16)12-14-5-3-4-6-15(14)18/h13-15,18H,3-12H2,1-2H3
InChIKeyMKEJGDLLOQMZCB-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds4

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

2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 55116494) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID55116494
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC(C)CN1CCN(CC2CCCCC2O)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)11-16-7-9-17(10-8-16)12-14-5-3-4-6-15(14)18/h13-15,18H,3-12H2,1-2H3
InChIKeyMKEJGDLLOQMZCB-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 368214
CID 368214
CID 201697
CID 201697
CID 368215
CID 368215
CID 121525011
CID 121525011
CID 201698
CID 201698
CID 541966
CID 541966
CID 1542462
CID 1542462
CID 1542464
CID 1542464
CID 368216
CID 368216
CID 62967739
CID 62967739
CID 62967740
CID 62967740
CID 62967741
CID 62967741

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 55116494) is 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol is CC(C)CN1CCN(CC2CCCCC2O)CC1.
What is the InChIKey of 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is MKEJGDLLOQMZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)11-16-7-9-17(10-8-16)12-14-5-3-4-6-15(14)18/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55116494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).