3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine

C15H24FN3 — CID 79414716

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
SMILESCC(CN)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H24FN3/c1-12(11-17)13(2)18-7-9-19(10-8-18)15-5-3-14(16)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyXPGMRYOBQZUGJT-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.93
Rot. Bonds4

About 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine

3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine (PubChem CID 79414716) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
PubChem CID79414716
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
SMILESCC(CN)C(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H24FN3/c1-12(11-17)13(2)18-7-9-19(10-8-18)15-5-3-14(16)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3
InChIKeyXPGMRYOBQZUGJT-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
2-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61354158
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-yl)ethanamine
CID 82839506
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
potassium;1-butan-2-yl-4-(4-fluorophenyl)piperazine;carbanide
CID 176964763

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine (CID 79414716) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine is CC(CN)C(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
The InChIKey is XPGMRYOBQZUGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(11-17)13(2)18-7-9-19(10-8-18)15-5-3-14(16)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine?
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 79414716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).