1-methyl-3-phenylpiperazine

C11H16N2 — CID 2760009

IUPAC1-methyl-3-phenylpiperazine
SMILESCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyIRMBVBDXXYXPEW-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.26
Rot. Bonds1

About 1-methyl-3-phenylpiperazine

1-methyl-3-phenylpiperazine (PubChem CID 2760009) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-methyl-3-phenylpiperazine
PubChem CID2760009
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-3-phenylpiperazine
SMILESCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKeyIRMBVBDXXYXPEW-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylpiperazine?
The IUPAC name of 1-methyl-3-phenylpiperazine (CID 2760009) is 1-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-methyl-3-phenylpiperazine?
The canonical SMILES for 1-methyl-3-phenylpiperazine is CN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-phenylpiperazine?
The InChIKey is IRMBVBDXXYXPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3.
What are the key properties of 1-methyl-3-phenylpiperazine?
1-methyl-3-phenylpiperazine has a molecular weight of 176.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylpiperazine is sourced from PubChem (CID 2760009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).