1-methyl-4-(1-phenylethyl)piperazine

C13H20N2 — CID 14364677

IUPAC1-methyl-4-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C13H20N2/c1-12(13-6-4-3-5-7-13)15-10-8-14(2)9-11-15/h3-7,12H,8-11H2,1-2H3
InChIKeyCQTKDGNXBCFBTR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.00
Rot. Bonds2

About 1-methyl-4-(1-phenylethyl)piperazine

1-methyl-4-(1-phenylethyl)piperazine (PubChem CID 14364677) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-phenylethyl)piperazine
PubChem CID14364677
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-methyl-4-(1-phenylethyl)piperazine
SMILESCC(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C13H20N2/c1-12(13-6-4-3-5-7-13)15-10-8-14(2)9-11-15/h3-7,12H,8-11H2,1-2H3
InChIKeyCQTKDGNXBCFBTR-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylethyl)piperazine?
The IUPAC name of 1-methyl-4-(1-phenylethyl)piperazine (CID 14364677) is 1-methyl-4-(1-phenylethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-phenylethyl)piperazine?
The canonical SMILES for 1-methyl-4-(1-phenylethyl)piperazine is CC(c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1-phenylethyl)piperazine?
The InChIKey is CQTKDGNXBCFBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-12(13-6-4-3-5-7-13)15-10-8-14(2)9-11-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-(1-phenylethyl)piperazine?
1-methyl-4-(1-phenylethyl)piperazine has a molecular weight of 204.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylethyl)piperazine is sourced from PubChem (CID 14364677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).