2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine

C18H30N2O — CID 64838813

IUPAC2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(OC)cc2)C(C)(CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-7-16-13-20(18(3,6-2)14-19-16)12-15-8-10-17(21-4)11-9-15/h8-11,16,19H,5-7,12-14H2,1-4H3
InChIKeyRDXVBDGJWPCLSL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds6

About 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine

2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 64838813) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
PubChem CID64838813
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(OC)cc2)C(C)(CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-7-16-13-20(18(3,6-2)14-19-16)12-15-8-10-17(21-4)11-9-15/h8-11,16,19H,5-7,12-14H2,1-4H3
InChIKeyRDXVBDGJWPCLSL-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine (CID 64838813) is 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2ccc(OC)cc2)C(C)(CC)CN1.
What is the InChIKey of 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is RDXVBDGJWPCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-7-16-13-20(18(3,6-2)14-19-16)12-15-8-10-17(21-4)11-9-15/h8-11,16,19H,5-7,12-14H2,1-4H3.
What are the key properties of 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine?
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).