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

C16H26FN3 — CID 63635824

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCN1CCN(CCC(N)c2ccccc2F)CC1C
InChIInChI=1S/C16H26FN3/c1-3-20-11-10-19(12-13(20)2)9-8-16(18)14-6-4-5-7-15(14)17/h4-7,13,16H,3,8-12,18H2,1-2H3
InChIKeyUKMRDGWWBCWHKS-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.24
Rot. Bonds5

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

3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 63635824) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID63635824
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCN1CCN(CCC(N)c2ccccc2F)CC1C
InChIInChI=1S/C16H26FN3/c1-3-20-11-10-19(12-13(20)2)9-8-16(18)14-6-4-5-7-15(14)17/h4-7,13,16H,3,8-12,18H2,1-2H3
InChIKeyUKMRDGWWBCWHKS-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine (CID 63635824) is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine is CCN1CCN(CCC(N)c2ccccc2F)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is UKMRDGWWBCWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-20-11-10-19(12-13(20)2)9-8-16(18)14-6-4-5-7-15(14)17/h4-7,13,16H,3,8-12,18H2,1-2H3.
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63635824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).