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

C15H21Cl2N3 — CID 61441053

IUPAC2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNCC(c1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21Cl2N3/c16-13-4-1-11(9-14(13)17)15(10-18)20-7-5-19(6-8-20)12-2-3-12/h1,4,9,12,15H,2-3,5-8,10,18H2
InChIKeyQKUMRMAUPSOSML-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.77
Rot. Bonds4

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

2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 61441053) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID61441053
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNCC(c1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H21Cl2N3/c16-13-4-1-11(9-14(13)17)15(10-18)20-7-5-19(6-8-20)12-2-3-12/h1,4,9,12,15H,2-3,5-8,10,18H2
InChIKeyQKUMRMAUPSOSML-UHFFFAOYSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.77
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-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine (CID 61441053) is 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine is NCC(c1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is QKUMRMAUPSOSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3/c16-13-4-1-11(9-14(13)17)15(10-18)20-7-5-19(6-8-20)12-2-3-12/h1,4,9,12,15H,2-3,5-8,10,18H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine?
2-(4-cyclopropylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanamine has a molecular weight of 314.26 g/mol, XLogP of 2.77, 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-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 61441053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).