5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine

C18H28N2O — CID 64946263

IUPAC5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cccc(COC)c1
InChIInChI=1S/C18H28N2O/c1-4-16-11-19-18(2,15-8-9-15)13-20(16)17-7-5-6-14(10-17)12-21-3/h5-7,10,15-16,19H,4,8-9,11-13H2,1-3H3
InChIKeyKFGHLTWBSKSLEL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds5

About 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine

5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine (PubChem CID 64946263) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
PubChem CID64946263
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1cccc(COC)c1
InChIInChI=1S/C18H28N2O/c1-4-16-11-19-18(2,15-8-9-15)13-20(16)17-7-5-6-14(10-17)12-21-3/h5-7,10,15-16,19H,4,8-9,11-13H2,1-3H3
InChIKeyKFGHLTWBSKSLEL-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64935659
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
CID 64946841
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64933328
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 107617330
3-ethyl-4-(3-ethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64932241
1-(3-ethoxyphenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64947274
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine (CID 64946263) is 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1cccc(COC)c1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine?
The InChIKey is KFGHLTWBSKSLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-16-11-19-18(2,15-8-9-15)13-20(16)17-7-5-6-14(10-17)12-21-3/h5-7,10,15-16,19H,4,8-9,11-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine?
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 3.19, 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-[3-(methoxymethyl)phenyl]-5-methylpiperazine is sourced from PubChem (CID 64946263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).