2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine

C18H30N2O — CID 64845190

IUPAC2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(C)ccc2OC)C(CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-7-16-13-20(17(6-2)11-19-16)12-15-10-14(3)8-9-18(15)21-4/h8-10,16-17,19H,5-7,11-13H2,1-4H3
InChIKeyNBRGGTSFFPOILF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.36
Rot. Bonds6

About 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine

2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine (PubChem CID 64845190) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
PubChem CID64845190
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine
SMILESCCCC1CN(Cc2cc(C)ccc2OC)C(CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-7-16-13-20(17(6-2)11-19-16)12-15-10-14(3)8-9-18(15)21-4/h8-10,16-17,19H,5-7,11-13H2,1-4H3
InChIKeyNBRGGTSFFPOILF-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
CID 65331268
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
2-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 82884970
2-ethyl-1-[(6-methoxy-3-pyridinyl)methyl]-5-propylpiperazine
CID 64940210
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
4-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945783
2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 64977910
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64846770
2-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64941741
2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
CID 64846488

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine (CID 64845190) is 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine is CCCC1CN(Cc2cc(C)ccc2OC)C(CC)CN1.
What is the InChIKey of 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine?
The InChIKey is NBRGGTSFFPOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-7-16-13-20(17(6-2)11-19-16)12-15-10-14(3)8-9-18(15)21-4/h8-10,16-17,19H,5-7,11-13H2,1-4H3.
What are the key properties of 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine?
2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-propylpiperazine is sourced from PubChem (CID 64845190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).