5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine

C18H28N2O — CID 66244508

IUPAC5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCCC1CNC(C2CC2)CN1C(C)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O/c1-4-16-11-19-18(15-5-6-15)12-20(16)13(2)14-7-9-17(21-3)10-8-14/h7-10,13,15-16,18-19H,4-6,11-12H2,1-3H3
InChIKeyYWGONRXKLOLCQL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.22
Rot. Bonds5

About 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine

5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 66244508) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID66244508
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCCC1CNC(C2CC2)CN1C(C)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O/c1-4-16-11-19-18(15-5-6-15)12-20(16)13(2)14-7-9-17(21-3)10-8-14/h7-10,13,15-16,18-19H,4-6,11-12H2,1-3H3
InChIKeyYWGONRXKLOLCQL-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
CID 64940977
5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64933586
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
CID 64933251
2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
CID 79446756
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine (CID 66244508) is 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine is CCC1CNC(C2CC2)CN1C(C)c1ccc(OC)cc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is YWGONRXKLOLCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-16-11-19-18(15-5-6-15)12-20(16)13(2)14-7-9-17(21-3)10-8-14/h7-10,13,15-16,18-19H,4-6,11-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine?
5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 66244508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).