2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one

C19H22FN3O — CID 83971999

IUPAC2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccc(N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-14(21)19(24)15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9,14H,10-13,21H2,1H3
InChIKeyBNIJPCTUSPRFIJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.68
Rot. Bonds4

About 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one

2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one (PubChem CID 83971999) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one
PubChem CID83971999
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccc(N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-14(21)19(24)15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9,14H,10-13,21H2,1H3
InChIKeyBNIJPCTUSPRFIJ-UHFFFAOYSA-N
XLogP2.68
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-aminopropanoyl)phenyl]piperidin-4-one
CID 83972010
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
propan-2-yl 3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate
CID 100633850
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
4-fluoro-3-(4-phenylpiperazin-1-yl)benzoic acid
CID 82537634
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223224
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one (CID 83971999) is 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one is CC(N)C(=O)c1ccc(N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one?
The InChIKey is BNIJPCTUSPRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-14(21)19(24)15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9,14H,10-13,21H2,1H3.
What are the key properties of 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one?
2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one has a molecular weight of 327.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 83971999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).