2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol

C13H26N2O — CID 63620255

IUPAC2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CN(CC2CCCCC2O)CCN1C
InChIInChI=1S/C13H26N2O/c1-11-9-15(8-7-14(11)2)10-12-5-3-4-6-13(12)16/h11-13,16H,3-10H2,1-2H3
InChIKeyPRSWTIHWTQAGLY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.17
Rot. Bonds2

About 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol

2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 63620255) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID63620255
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CN(CC2CCCCC2O)CCN1C
InChIInChI=1S/C13H26N2O/c1-11-9-15(8-7-14(11)2)10-12-5-3-4-6-13(12)16/h11-13,16H,3-10H2,1-2H3
InChIKeyPRSWTIHWTQAGLY-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 63620255) is 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol is CC1CN(CC2CCCCC2O)CCN1C.
What is the InChIKey of 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is PRSWTIHWTQAGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-15(8-7-14(11)2)10-12-5-3-4-6-13(12)16/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol?
2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63620255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).