(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride

C19H22ClF3N2O — CID 171174833

IUPAC(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1
InChIInChI=1S/C19H21F3N2O.ClH/c20-19(21,22)17-7-5-15(6-8-17)14-1-3-16(4-2-14)18(13-25)24-11-9-23-10-12-24;/h1-8,18,23,25H,9-13H2;1H/t18-;/m0./s1
InChIKeyRPHGPXPKXOATJS-FERBBOLQSA-N
MW386.85 g/mol
LogP3.73
Rot. Bonds4

About (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride

(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride (PubChem CID 171174833) has the molecular formula C19H22ClF3N2O and a molecular weight of 386.85 g/mol. Its IUPAC name is (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
PubChem CID171174833
Molecular FormulaC19H22ClF3N2O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC Name(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
SMILESCl.OC[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1
InChIInChI=1S/C19H21F3N2O.ClH/c20-19(21,22)17-7-5-15(6-8-17)14-1-3-16(4-2-14)18(13-25)24-11-9-23-10-12-24;/h1-8,18,23,25H,9-13H2;1H/t18-;/m0./s1
InChIKeyRPHGPXPKXOATJS-FERBBOLQSA-N
XLogP3.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]but-3-enyl]piperazine;hydrochloride
CID 171167114
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
CID 171172366
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-[2,5-bis(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173861
(2R)-2-piperazin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol;hydrochloride
CID 171174552
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(3R)-2,2-difluoro-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171178427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride?
The IUPAC name of (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride (CID 171174833) is (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride?
The canonical SMILES for (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride is Cl.OC[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1.
What is the InChIKey of (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride?
The InChIKey is RPHGPXPKXOATJS-FERBBOLQSA-N. The full InChI is InChI=1S/C19H21F3N2O.ClH/c20-19(21,22)17-7-5-15(6-8-17)14-1-3-16(4-2-14)18(13-25)24-11-9-23-10-12-24;/h1-8,18,23,25H,9-13H2;1H/t18-;/m0./s1.
What are the key properties of (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride?
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride has a molecular weight of 386.85 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171174833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).