2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine

C15H21F2N3 — CID 61440571

IUPAC2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine
SMILESNCC(c1c(F)cccc1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21F2N3/c16-12-2-1-3-13(17)15(12)14(10-18)20-8-6-19(7-9-20)11-4-5-11/h1-3,11,14H,4-10,18H2
InChIKeyXVBLKDJQTAVWDS-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine

2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine (PubChem CID 61440571) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine
PubChem CID61440571
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine
SMILESNCC(c1c(F)cccc1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21F2N3/c16-12-2-1-3-13(17)15(12)14(10-18)20-8-6-19(7-9-20)11-4-5-11/h1-3,11,14H,4-10,18H2
InChIKeyXVBLKDJQTAVWDS-UHFFFAOYSA-N
XLogP1.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine (CID 61440571) is 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine is NCC(c1c(F)cccc1F)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine?
The InChIKey is XVBLKDJQTAVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c16-12-2-1-3-13(17)15(12)14(10-18)20-8-6-19(7-9-20)11-4-5-11/h1-3,11,14H,4-10,18H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine?
2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine has a molecular weight of 281.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 61440571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).