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

C15H31N3O — CID 62890252

IUPAC2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)CCN1CCN(CC2CCCCC2O)CC1
InChIInChI=1S/C15H31N3O/c1-16(2)7-8-17-9-11-18(12-10-17)13-14-5-3-4-6-15(14)19/h14-15,19H,3-13H2,1-2H3
InChIKeyGUBAKNBCOWCUOK-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.72
Rot. Bonds5

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

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 62890252) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID62890252
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCN(C)CCN1CCN(CC2CCCCC2O)CC1
InChIInChI=1S/C15H31N3O/c1-16(2)7-8-17-9-11-18(12-10-17)13-14-5-3-4-6-15(14)19/h14-15,19H,3-13H2,1-2H3
InChIKeyGUBAKNBCOWCUOK-UHFFFAOYSA-N
XLogP0.72
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol (CID 62890252) is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol is CN(C)CCN1CCN(CC2CCCCC2O)CC1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is GUBAKNBCOWCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-16(2)7-8-17-9-11-18(12-10-17)13-14-5-3-4-6-15(14)19/h14-15,19H,3-13H2,1-2H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol?
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62890252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).