[4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol

C15H18BrF3N2O — CID 167104511

IUPAC[4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol
SMILESOC(C1CC1C(F)(F)F)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrF3N2O/c16-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14(22)12-9-13(12)15(17,18)19/h1-4,12-14,22H,5-9H2
InChIKeyODDYLXIGTVVXIN-UHFFFAOYSA-N
MW379.22 g/mol
LogP3.09
Rot. Bonds3

About [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol

[4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 167104511) has the molecular formula C15H18BrF3N2O and a molecular weight of 379.22 g/mol. Its IUPAC name is [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol
PubChem CID167104511
Molecular FormulaC15H18BrF3N2O
Molecular Weight379.22 g/mol
Exact Mass378.06
IUPAC Name[4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol
SMILESOC(C1CC1C(F)(F)F)N1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrF3N2O/c16-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14(22)12-9-13(12)15(17,18)19/h1-4,12-14,22H,5-9H2
InChIKeyODDYLXIGTVVXIN-UHFFFAOYSA-N
XLogP3.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol (CID 167104511) is [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol is OC(C1CC1C(F)(F)F)N1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is ODDYLXIGTVVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF3N2O/c16-10-1-3-11(4-2-10)20-5-7-21(8-6-20)14(22)12-9-13(12)15(17,18)19/h1-4,12-14,22H,5-9H2.
What are the key properties of [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol?
[4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 379.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 167104511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).