2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine

C17H27N3 — CID 116517852

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine
SMILESCN1CCN(C)C(CC(N)C2CC2c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-19-8-9-20(2)14(12-19)10-17(18)16-11-15(16)13-6-4-3-5-7-13/h3-7,14-17H,8-12,18H2,1-2H3
InChIKeyOHXGWGBYAMILRY-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.75
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine

2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 116517852) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine
PubChem CID116517852
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine
SMILESCN1CCN(C)C(CC(N)C2CC2c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-19-8-9-20(2)14(12-19)10-17(18)16-11-15(16)13-6-4-3-5-7-13/h3-7,14-17H,8-12,18H2,1-2H3
InChIKeyOHXGWGBYAMILRY-UHFFFAOYSA-N
XLogP1.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine (CID 116517852) is 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine is CN1CCN(C)C(CC(N)C2CC2c2ccccc2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is OHXGWGBYAMILRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-8-9-20(2)14(12-19)10-17(18)16-11-15(16)13-6-4-3-5-7-13/h3-7,14-17H,8-12,18H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine?
2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 116517852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).