2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride

C19H24Cl2FN3O — CID 119827481

IUPAC2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O.2ClH/c20-16-6-8-17(9-7-16)22-10-12-23(13-11-22)19(24)18(21)14-15-4-2-1-3-5-15;;/h1-9,18H,10-14,21H2;2*1H
InChIKeyLOZQGXJWVFNATF-UHFFFAOYSA-N
MW400.33 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride

2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride (PubChem CID 119827481) has the molecular formula C19H24Cl2FN3O and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
PubChem CID119827481
Molecular FormulaC19H24Cl2FN3O
Molecular Weight400.33 g/mol
Exact Mass399.13
IUPAC Name2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O.2ClH/c20-16-6-8-17(9-7-16)22-10-12-23(13-11-22)19(24)18(21)14-15-4-2-1-3-5-15;;/h1-9,18H,10-14,21H2;2*1H
InChIKeyLOZQGXJWVFNATF-UHFFFAOYSA-N
XLogP2.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 16662104
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
2-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119858335

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride (CID 119827481) is 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
The InChIKey is LOZQGXJWVFNATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.2ClH/c20-16-6-8-17(9-7-16)22-10-12-23(13-11-22)19(24)18(21)14-15-4-2-1-3-5-15;;/h1-9,18H,10-14,21H2;2*1H.
What are the key properties of 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride?
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride has a molecular weight of 400.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride is sourced from PubChem (CID 119827481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).