3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C12H21F3N2O — CID 165496308

IUPAC3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN1CCN(C2CC(O)CCC2C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-4-6-17(7-5-16)11-8-9(18)2-3-10(11)12(13,14)15/h9-11,18H,2-8H2,1H3
InChIKeyTZSPQODFSGVTSU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.33
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496308) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496308
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN1CCN(C2CC(O)CCC2C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-4-6-17(7-5-16)11-8-9(18)2-3-10(11)12(13,14)15/h9-11,18H,2-8H2,1H3
InChIKeyTZSPQODFSGVTSU-UHFFFAOYSA-N
XLogP1.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496308) is 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CN1CCN(C2CC(O)CCC2C(F)(F)F)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is TZSPQODFSGVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-16-4-6-17(7-5-16)11-8-9(18)2-3-10(11)12(13,14)15/h9-11,18H,2-8H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 266.31 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).