1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride

C15H20ClF3N2O — CID 119402443

IUPAC1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
SMILESCCC(C(=O)N1CCNCC1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-2-13(14(21)20-8-6-19-7-9-20)11-4-3-5-12(10-11)15(16,17)18;/h3-5,10,13,19H,2,6-9H2,1H3;1H
InChIKeyLWUGMVVAMOEKSP-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.05
Rot. Bonds3

About 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride

1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride (PubChem CID 119402443) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
PubChem CID119402443
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
SMILESCCC(C(=O)N1CCNCC1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-2-13(14(21)20-8-6-19-7-9-20)11-4-3-5-12(10-11)15(16,17)18;/h3-5,10,13,19H,2,6-9H2,1H3;1H
InChIKeyLWUGMVVAMOEKSP-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;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

1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 120996972
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 111969635
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 154840919
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 119388692
(2S)-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 97009437
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
2-(4-fluoro-3-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82091542
2-[(2R)-4-[(2R)-2-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124683785
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120554725

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride?
The IUPAC name of 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride (CID 119402443) is 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride?
The canonical SMILES for 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride is CCC(C(=O)N1CCNCC1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride?
The InChIKey is LWUGMVVAMOEKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-2-13(14(21)20-8-6-19-7-9-20)11-4-3-5-12(10-11)15(16,17)18;/h3-5,10,13,19H,2,6-9H2,1H3;1H.
What are the key properties of 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride?
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride is sourced from PubChem (CID 119402443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).