3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine

C17H26N2 — CID 64926146

IUPAC3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
SMILESCc1ccccc1C(C)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C17H26N2/c1-13-6-4-5-7-16(13)14(2)19-11-10-18-17(3,12-19)15-8-9-15/h4-7,14-15,18H,8-12H2,1-3H3
InChIKeyWDMZGJYFQONWOI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.13
Rot. Bonds3

About 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine

3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine (PubChem CID 64926146) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
PubChem CID64926146
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
SMILESCc1ccccc1C(C)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C17H26N2/c1-13-6-4-5-7-16(13)14(2)19-11-10-18-17(3,12-19)15-8-9-15/h4-7,14-15,18H,8-12H2,1-3H3
InChIKeyWDMZGJYFQONWOI-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine (CID 64926146) is 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine is Cc1ccccc1C(C)N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
The InChIKey is WDMZGJYFQONWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-6-4-5-7-16(13)14(2)19-11-10-18-17(3,12-19)15-8-9-15/h4-7,14-15,18H,8-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine?
3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 64926146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).