2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine

C19H24FN3 — CID 95506080

IUPAC2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
SMILESNCCc1c(F)cccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24FN3/c20-18-7-4-8-19(17(18)9-10-21)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16/h1-8H,9-15,21H2
InChIKeyMCXHUQNMBHZTOD-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine

2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 95506080) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID95506080
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine
SMILESNCCc1c(F)cccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24FN3/c20-18-7-4-8-19(17(18)9-10-21)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16/h1-8H,9-15,21H2
InChIKeyMCXHUQNMBHZTOD-UHFFFAOYSA-N
XLogP2.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine (CID 95506080) is 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine is NCCc1c(F)cccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is MCXHUQNMBHZTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c20-18-7-4-8-19(17(18)9-10-21)23-13-11-22(12-14-23)15-16-5-2-1-3-6-16/h1-8H,9-15,21H2.
What are the key properties of 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine?
2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 313.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperazin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 95506080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).