3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C15H23ClFN3O — CID 120980411

IUPAC3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C15H22FN3O.ClH/c1-18(12-13-2-4-14(16)5-3-13)9-6-15(20)19-10-7-17-8-11-19;/h2-5,17H,6-12H2,1H3;1H
InChIKeyXQAQJIQENJKXJA-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.50
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980411) has the molecular formula C15H23ClFN3O and a molecular weight of 315.82 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980411
Molecular FormulaC15H23ClFN3O
Molecular Weight315.82 g/mol
Exact Mass315.15
IUPAC Name3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C15H22FN3O.ClH/c1-18(12-13-2-4-14(16)5-3-13)9-6-15(20)19-10-7-17-8-11-19;/h2-5,17H,6-12H2,1H3;1H
InChIKeyXQAQJIQENJKXJA-UHFFFAOYSA-N
XLogP1.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
CID 120980533
3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981774
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
N-[(4-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139306
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980411) is 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CN(CCC(=O)N1CCNCC1)Cc1ccc(F)cc1.Cl.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is XQAQJIQENJKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O.ClH/c1-18(12-13-2-4-14(16)5-3-13)9-6-15(20)19-10-7-17-8-11-19;/h2-5,17H,6-12H2,1H3;1H.
What are the key properties of 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).