1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride

C17H24ClFN2O2 — CID 3044061

IUPAC1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCCC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-2-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14;/h5-8H,2-4,9-13H2,1H3;1H
InChIKeyMJCOXTZLXRVCMX-UHFFFAOYSA-N
MW342.84 g/mol
LogP2.76
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride

1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride (PubChem CID 3044061) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride
PubChem CID3044061
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride
SMILESCCC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-2-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14;/h5-8H,2-4,9-13H2,1H3;1H
InChIKeyMJCOXTZLXRVCMX-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)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

Pipamperone
CID 4830
Melperone
CID 15387
Melperone hydrochloride
CID 9926325
Lenperone
CID 32593
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Pipamperone dihydrochloride
CID 11705034
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
3-Piperidinopropiophenone hydrochloride
CID 70171
Azabuperone
CID 18484
Roxoperone
CID 71117
Primaperone
CID 14641

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride (CID 3044061) is 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride is CCC(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride?
The InChIKey is MJCOXTZLXRVCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c1-2-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14;/h5-8H,2-4,9-13H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride?
1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 3044061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).