3-methyl-3-phenyl-1-(1-phenylethyl)piperazine

C19H24N2 — CID 64926177

IUPAC3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-16(17-9-5-3-6-10-17)21-14-13-20-19(2,15-21)18-11-7-4-8-12-18/h3-12,16,20H,13-15H2,1-2H3
InChIKeyQKLBEJQLYHUHOI-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.57
Rot. Bonds3

About 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine

3-methyl-3-phenyl-1-(1-phenylethyl)piperazine (PubChem CID 64926177) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
PubChem CID64926177
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-16(17-9-5-3-6-10-17)21-14-13-20-19(2,15-21)18-11-7-4-8-12-18/h3-12,16,20H,13-15H2,1-2H3
InChIKeyQKLBEJQLYHUHOI-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine?
The IUPAC name of 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine (CID 64926177) is 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine.
What is the SMILES notation for 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine?
The canonical SMILES for 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine is CC(c1ccccc1)N1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine?
The InChIKey is QKLBEJQLYHUHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16(17-9-5-3-6-10-17)21-14-13-20-19(2,15-21)18-11-7-4-8-12-18/h3-12,16,20H,13-15H2,1-2H3.
What are the key properties of 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine?
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine has a molecular weight of 280.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-(1-phenylethyl)piperazine is sourced from PubChem (CID 64926177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).