(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine

C15H24FN3 — CID 78946584

IUPAC(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine
SMILESCCC1CN(c2ccc([C@H](C)N)cc2F)CCN1C
InChIInChI=1S/C15H24FN3/c1-4-13-10-19(8-7-18(13)3)15-6-5-12(11(2)17)9-14(15)16/h5-6,9,11,13H,4,7-8,10,17H2,1-3H3/t11-,13?/m0/s1
InChIKeyGYGSQFYWNFGKAF-AMGKYWFPSA-N
MW265.38 g/mol
LogP2.38
Rot. Bonds3

About (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine

(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 78946584) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine
PubChem CID78946584
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine
SMILESCCC1CN(c2ccc([C@H](C)N)cc2F)CCN1C
InChIInChI=1S/C15H24FN3/c1-4-13-10-19(8-7-18(13)3)15-6-5-12(11(2)17)9-14(15)16/h5-6,9,11,13H,4,7-8,10,17H2,1-3H3/t11-,13?/m0/s1
InChIKeyGYGSQFYWNFGKAF-AMGKYWFPSA-N
XLogP2.38
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine (CID 78946584) is (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine is CCC1CN(c2ccc([C@H](C)N)cc2F)CCN1C.
What is the InChIKey of (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is GYGSQFYWNFGKAF-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H24FN3/c1-4-13-10-19(8-7-18(13)3)15-6-5-12(11(2)17)9-14(15)16/h5-6,9,11,13H,4,7-8,10,17H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 78946584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).