2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine

C17H26N2 — CID 64844387

IUPAC2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
SMILESCC1CN(CCc2ccccc2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H26N2/c1-14-12-19(11-10-15-6-4-3-5-7-15)17(2,13-18-14)16-8-9-16/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyWVQGFZUXARBTGG-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.69
Rot. Bonds4

About 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine

2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine (PubChem CID 64844387) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
PubChem CID64844387
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
SMILESCC1CN(CCc2ccccc2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H26N2/c1-14-12-19(11-10-15-6-4-3-5-7-15)17(2,13-18-14)16-8-9-16/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyWVQGFZUXARBTGG-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine?
The IUPAC name of 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine (CID 64844387) is 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine is CC1CN(CCc2ccccc2)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine?
The InChIKey is WVQGFZUXARBTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-12-19(11-10-15-6-4-3-5-7-15)17(2,13-18-14)16-8-9-16/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine?
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine is sourced from PubChem (CID 64844387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).