2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine

C15H21F2N3 — CID 63668083

IUPAC2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESNCC(c1cccc(F)c1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21F2N3/c16-13-3-1-2-12(15(13)17)14(10-18)20-8-6-19(7-9-20)11-4-5-11/h1-3,11,14H,4-10,18H2
InChIKeyHDFGGDBIXCSALX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine

2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine (PubChem CID 63668083) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
PubChem CID63668083
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESNCC(c1cccc(F)c1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21F2N3/c16-13-3-1-2-12(15(13)17)14(10-18)20-8-6-19(7-9-20)11-4-5-11/h1-3,11,14H,4-10,18H2
InChIKeyHDFGGDBIXCSALX-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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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-2-(2,6-difluorophenyl)ethanamine
CID 61440571
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
CID 63668255
2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63669113
2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105
2-(2,3-difluorophenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55234530
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 65319085
2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585183
2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine (CID 63668083) is 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine is NCC(c1cccc(F)c1F)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
The InChIKey is HDFGGDBIXCSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c16-13-3-1-2-12(15(13)17)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-(2,3-difluorophenyl)ethanamine?
2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-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-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 63668083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).