2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine

C18H28N2O — CID 64939470

IUPAC2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine
SMILESCCC1CNC(C)(c2ccccc2)CN1C1CCCOC1
InChIInChI=1S/C18H28N2O/c1-3-16-12-19-18(2,15-8-5-4-6-9-15)14-20(16)17-10-7-11-21-13-17/h4-6,8-9,16-17,19H,3,7,10-14H2,1-2H3
InChIKeyPQPYKIAMMTZGSN-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.76
Rot. Bonds3

About 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine

2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine (PubChem CID 64939470) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine
PubChem CID64939470
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine
SMILESCCC1CNC(C)(c2ccccc2)CN1C1CCCOC1
InChIInChI=1S/C18H28N2O/c1-3-16-12-19-18(2,15-8-5-4-6-9-15)14-20(16)17-10-7-11-21-13-17/h4-6,8-9,16-17,19H,3,7,10-14H2,1-2H3
InChIKeyPQPYKIAMMTZGSN-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine?
The IUPAC name of 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine (CID 64939470) is 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine is CCC1CNC(C)(c2ccccc2)CN1C1CCCOC1.
What is the InChIKey of 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine?
The InChIKey is PQPYKIAMMTZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-16-12-19-18(2,15-8-5-4-6-9-15)14-20(16)17-10-7-11-21-13-17/h4-6,8-9,16-17,19H,3,7,10-14H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine?
2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine has a molecular weight of 288.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-(oxan-3-yl)-5-phenylpiperazine is sourced from PubChem (CID 64939470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).