1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol

C13H27N3O — CID 117038143

IUPAC1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H27N3O/c1-14-11-13(17)5-3-12(4-6-13)16-9-7-15(2)8-10-16/h12,14,17H,3-11H2,1-2H3
InChIKeyZNMRTDVFKZPHSQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.13
Rot. Bonds3

About 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol

1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 117038143) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID117038143
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H27N3O/c1-14-11-13(17)5-3-12(4-6-13)16-9-7-15(2)8-10-16/h12,14,17H,3-11H2,1-2H3
InChIKeyZNMRTDVFKZPHSQ-UHFFFAOYSA-N
XLogP0.13
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol (CID 117038143) is 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol is CNCC1(O)CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is ZNMRTDVFKZPHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-14-11-13(17)5-3-12(4-6-13)16-9-7-15(2)8-10-16/h12,14,17H,3-11H2,1-2H3.
What are the key properties of 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol?
1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 241.38 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 117038143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).