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

C17H28FN3 — CID 62773806

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccccc2F)C(C)N)CC1
InChIInChI=1S/C17H28FN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-7-5-6-8-16(15)18/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyXEYLTGQBDWQUIJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.63
Rot. Bonds5

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

1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 62773806) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID62773806
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccccc2F)C(C)N)CC1
InChIInChI=1S/C17H28FN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-7-5-6-8-16(15)18/h5-8,13-14,17H,4,9-12,19H2,1-3H3
InChIKeyXEYLTGQBDWQUIJ-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63156273
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63605368
1-(2-ethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018636
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 62774582
1-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018870
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)propan-2-amine
CID 104957874
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)propan-2-amine
CID 79916473
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine (CID 62773806) is 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine is CCC(C)N1CCN(C(c2ccccc2F)C(C)N)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is XEYLTGQBDWQUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-13(2)20-9-11-21(12-10-20)17(14(3)19)15-7-5-6-8-16(15)18/h5-8,13-14,17H,4,9-12,19H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62773806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).