5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine

C18H30N2O — CID 64847525

IUPAC5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCOc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C18H30N2O/c1-5-18(4)14-20(17(13-19-18)15(2)3)11-12-21-16-9-7-6-8-10-16/h6-10,15,17,19H,5,11-14H2,1-4H3
InChIKeyHCSTWLDXXBXSAX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.16
Rot. Bonds6

About 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine (PubChem CID 64847525) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
PubChem CID64847525
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCOc2ccccc2)C(C(C)C)CN1
InChIInChI=1S/C18H30N2O/c1-5-18(4)14-20(17(13-19-18)15(2)3)11-12-21-16-9-7-6-8-10-16/h6-10,15,17,19H,5,11-14H2,1-4H3
InChIKeyHCSTWLDXXBXSAX-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine (CID 64847525) is 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine is CCC1(C)CN(CCOc2ccccc2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine?
The InChIKey is HCSTWLDXXBXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-18(4)14-20(17(13-19-18)15(2)3)11-12-21-16-9-7-6-8-10-16/h6-10,15,17,19H,5,11-14H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64847525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).