[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine

C15H24FN3 — CID 62773221

IUPAC[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
SMILESCCC(C)N1CCN(c2ccc(CN)cc2F)CC1
InChIInChI=1S/C15H24FN3/c1-3-12(2)18-6-8-19(9-7-18)15-5-4-13(11-17)10-14(15)16/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKeyMRNNWGIZWVYPJW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.20
Rot. Bonds4

About [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine

[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine (PubChem CID 62773221) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
PubChem CID62773221
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
SMILESCCC(C)N1CCN(c2ccc(CN)cc2F)CC1
InChIInChI=1S/C15H24FN3/c1-3-12(2)18-6-8-19(9-7-18)15-5-4-13(11-17)10-14(15)16/h4-5,10,12H,3,6-9,11,17H2,1-2H3
InChIKeyMRNNWGIZWVYPJW-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-bromo-4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 107532343
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
CID 62774818
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
2-(4-butan-2-ylpiperazin-1-yl)-5-chloro-4-fluoroaniline
CID 66077641
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
CID 63156540
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
CID 173374498

Frequently Asked Questions

What is the IUPAC name of [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine (CID 62773221) is [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine is CCC(C)N1CCN(c2ccc(CN)cc2F)CC1.
What is the InChIKey of [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine?
The InChIKey is MRNNWGIZWVYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-12(2)18-6-8-19(9-7-18)15-5-4-13(11-17)10-14(15)16/h4-5,10,12H,3,6-9,11,17H2,1-2H3.
What are the key properties of [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine?
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 62773221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).