3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine

C17H28FN3 — CID 62774063

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(C)N1CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C17H28FN3/c1-3-14(2)21-11-9-20(10-12-21)8-7-17(19)15-5-4-6-16(18)13-15/h4-6,13-14,17H,3,7-12,19H2,1-2H3
InChIKeyBAQFUWTWYPQAHQ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.63
Rot. Bonds6

About 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine

3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 62774063) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID62774063
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(C)N1CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C17H28FN3/c1-3-14(2)21-11-9-20(10-12-21)8-7-17(19)15-5-4-6-16(18)13-15/h4-6,13-14,17H,3,7-12,19H2,1-2H3
InChIKeyBAQFUWTWYPQAHQ-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745807
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62643280
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine (CID 62774063) is 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine is CCC(C)N1CCN(CCC(N)c2cccc(F)c2)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is BAQFUWTWYPQAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-3-14(2)21-11-9-20(10-12-21)8-7-17(19)15-5-4-6-16(18)13-15/h4-6,13-14,17H,3,7-12,19H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62774063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).