[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride

C17H22ClF3N2O2 — CID 71783091

IUPAC[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)14-5-3-13(4-6-14)16(24)22-9-7-21(8-10-22)11-15(23)12-1-2-12;/h3-6,12,15,23H,1-2,7-11H2;1H
InChIKeyUOPCZUQEMHVYND-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.66
Rot. Bonds4

About [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride

[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 71783091) has the molecular formula C17H22ClF3N2O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID71783091
Molecular FormulaC17H22ClF3N2O2
Molecular Weight378.82 g/mol
Exact Mass378.13
IUPAC Name[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)14-5-3-13(4-6-14)16(24)22-9-7-21(8-10-22)11-15(23)12-1-2-12;/h3-6,12,15,23H,1-2,7-11H2;1H
InChIKeyUOPCZUQEMHVYND-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
Cyclopropyl-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
CID 776941
1-(Cyclopropylcarbonyl)-4-(2-fluorobenzoyl)piperazine
CID 776748
(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
(2R)-1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759850
N-Methyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 132078322
N,4-Dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]benzamide
CID 132078515
2-(4-Benzoylpiperazin-1-yl)ethan-1-ol
CID 3261601
(3-Hydroxy-1-piperidinyl)phenylmethanone
CID 14920287
{4-[3-(Cyclohex-3-enylmethoxy)-2-hydroxy-propyl]-piperazin-1-yl}-phenyl-methanone
CID 6603666
4-[4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazine-1-carbonyl]benzonitrile
CID 10689528

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 71783091) is [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride is Cl.O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is UOPCZUQEMHVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2.ClH/c18-17(19,20)14-5-3-13(4-6-14)16(24)22-9-7-21(8-10-22)11-15(23)12-1-2-12;/h3-6,12,15,23H,1-2,7-11H2;1H.
What are the key properties of [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride?
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 71783091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).