4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol

C15H30N2O — CID 114539108

IUPAC4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol
SMILESCC1CN(C2CC(C)(C)CCC2O)CC(C)N1C
InChIInChI=1S/C15H30N2O/c1-11-9-17(10-12(2)16(11)5)13-8-15(3,4)7-6-14(13)18/h11-14,18H,6-10H2,1-5H3
InChIKeyIPZIEIVPSBSBDC-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds1

About 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol

4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 114539108) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID114539108
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol
SMILESCC1CN(C2CC(C)(C)CCC2O)CC(C)N1C
InChIInChI=1S/C15H30N2O/c1-11-9-17(10-12(2)16(11)5)13-8-15(3,4)7-6-14(13)18/h11-14,18H,6-10H2,1-5H3
InChIKeyIPZIEIVPSBSBDC-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol (CID 114539108) is 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol is CC1CN(C2CC(C)(C)CCC2O)CC(C)N1C.
What is the InChIKey of 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is IPZIEIVPSBSBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-9-17(10-12(2)16(11)5)13-8-15(3,4)7-6-14(13)18/h11-14,18H,6-10H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol?
4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 114539108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).