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

C15H24FN3 — CID 63340356

IUPAC2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-2-15(11-17)19-8-6-18(7-9-19)12-13-4-3-5-14(16)10-13/h3-5,10,15H,2,6-9,11-12,17H2,1H3
InChIKeyUZPRRYWEHLKKMK-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.68
Rot. Bonds5

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

2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine (PubChem CID 63340356) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine
PubChem CID63340356
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-2-15(11-17)19-8-6-18(7-9-19)12-13-4-3-5-14(16)10-13/h3-5,10,15H,2,6-9,11-12,17H2,1H3
InChIKeyUZPRRYWEHLKKMK-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pentan-1-amine
CID 63340721
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341656
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310279
N-butan-2-yl-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 19574348
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56900861
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
4-(1-aminobutan-2-yl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 63338979
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
CID 23935430

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine (CID 63340356) is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine?
The InChIKey is UZPRRYWEHLKKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-2-15(11-17)19-8-6-18(7-9-19)12-13-4-3-5-14(16)10-13/h3-5,10,15H,2,6-9,11-12,17H2,1H3.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine?
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 63340356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).