4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol

C17H23F3N2O — CID 18998449

IUPAC4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCC(N2CCNCC2)CC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-4-2-1-3-14(15)16(23)7-5-13(6-8-16)22-11-9-21-10-12-22/h1-4,13,21,23H,5-12H2
InChIKeyIZAYWNBYIMJRMJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.74
Rot. Bonds2

About 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol

4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 18998449) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID18998449
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCC(N2CCNCC2)CC1
InChIInChI=1S/C17H23F3N2O/c18-17(19,20)15-4-2-1-3-14(15)16(23)7-5-13(6-8-16)22-11-9-21-10-12-22/h1-4,13,21,23H,5-12H2
InChIKeyIZAYWNBYIMJRMJ-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 18998449) is 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol is OC1(c2ccccc2C(F)(F)F)CCC(N2CCNCC2)CC1.
What is the InChIKey of 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is IZAYWNBYIMJRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-17(19,20)15-4-2-1-3-14(15)16(23)7-5-13(6-8-16)22-11-9-21-10-12-22/h1-4,13,21,23H,5-12H2.
What are the key properties of 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol?
4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 328.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 18998449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).