2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine

C16H23F2N3 — CID 63668255

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
SMILESNCC(c1cccc(F)c1F)N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H23F2N3/c17-14-3-1-2-13(16(14)18)15(10-19)21-8-6-20(7-9-21)11-12-4-5-12/h1-3,12,15H,4-11,19H2
InChIKeyAWCZONMHMWELEA-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine (PubChem CID 63668255) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
PubChem CID63668255
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
SMILESNCC(c1cccc(F)c1F)N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H23F2N3/c17-14-3-1-2-13(16(14)18)15(10-19)21-8-6-20(7-9-21)11-12-4-5-12/h1-3,12,15H,4-11,19H2
InChIKeyAWCZONMHMWELEA-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine (CID 63668255) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine is NCC(c1cccc(F)c1F)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine?
The InChIKey is AWCZONMHMWELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c17-14-3-1-2-13(16(14)18)15(10-19)21-8-6-20(7-9-21)11-12-4-5-12/h1-3,12,15H,4-11,19H2.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine has a molecular weight of 295.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 63668255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).