1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine

C16H26FN3 — CID 63603808

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
SMILESCCN1CCN(C(c2ccc(F)cc2)C(C)N)CC1C
InChIInChI=1S/C16H26FN3/c1-4-19-9-10-20(11-12(19)2)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,12-13,16H,4,9-11,18H2,1-3H3
InChIKeyJWXLFRKYAKUOIK-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine

1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine (PubChem CID 63603808) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
PubChem CID63603808
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
SMILESCCN1CCN(C(c2ccc(F)cc2)C(C)N)CC1C
InChIInChI=1S/C16H26FN3/c1-4-19-9-10-20(11-12(19)2)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,12-13,16H,4,9-11,18H2,1-3H3
InChIKeyJWXLFRKYAKUOIK-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine (CID 63603808) is 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine is CCN1CCN(C(c2ccc(F)cc2)C(C)N)CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is JWXLFRKYAKUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-19-9-10-20(11-12(19)2)16(13(3)18)14-5-7-15(17)8-6-14/h5-8,12-13,16H,4,9-11,18H2,1-3H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine?
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63603808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).