3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine

C16H26FN3 — CID 62645471

IUPAC3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCCN1CCN(CCC(NC)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-3-19-10-12-20(13-11-19)9-8-16(18-2)14-4-6-15(17)7-5-14/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyDNEPWGRZFFKGOU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.11
Rot. Bonds6

About 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine

3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62645471) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62645471
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCCN1CCN(CCC(NC)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-3-19-10-12-20(13-11-19)9-8-16(18-2)14-4-6-15(17)7-5-14/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyDNEPWGRZFFKGOU-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-fluorophenyl)-N-methyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62644344
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]-4-methylpiperidin-4-ol
CID 81115500
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
1-(4-fluorophenyl)-N-methyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62644041
1-(4-fluorophenyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 63619738
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine (CID 62645471) is 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine is CCN1CCN(CCC(NC)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is DNEPWGRZFFKGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-19-10-12-20(13-11-19)9-8-16(18-2)14-4-6-15(17)7-5-14/h4-7,16,18H,3,8-13H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62645471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).