2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine

C13H20FN3 — CID 6484141

IUPAC2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H20FN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3
InChIKeySGZLJAMRWOGKGC-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.07
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 6484141) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID6484141
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H20FN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3
InChIKeySGZLJAMRWOGKGC-UHFFFAOYSA-N
XLogP1.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 6484141) is 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is SGZLJAMRWOGKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 6484141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).