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

C17H26N2O — CID 64946841

IUPAC5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
SMILESCCC1CNC(C2CC2)CN1c1cccc(COC)c1
InChIInChI=1S/C17H26N2O/c1-3-15-10-18-17(14-7-8-14)11-19(15)16-6-4-5-13(9-16)12-20-2/h4-6,9,14-15,17-18H,3,7-8,10-12H2,1-2H3
InChIKeyYXKHTZJGROWAIN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.80
Rot. Bonds5

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

5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine (PubChem CID 64946841) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
PubChem CID64946841
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine
SMILESCCC1CNC(C2CC2)CN1c1cccc(COC)c1
InChIInChI=1S/C17H26N2O/c1-3-15-10-18-17(14-7-8-14)11-19(15)16-6-4-5-13(9-16)12-20-2/h4-6,9,14-15,17-18H,3,7-8,10-12H2,1-2H3
InChIKeyYXKHTZJGROWAIN-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-2-ethyl-1-(3-propan-2-ylphenyl)piperazine
CID 64933251
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
CID 64934243
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
5-cyclopropyl-2-ethyl-1-naphthalen-1-ylpiperazine
CID 64931553
5-cyclopropyl-2-ethyl-1-(2,4,5-trifluorophenyl)piperazine
CID 64940762
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
5-cyclopropyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931562
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
5-cyclopropyl-2-ethyl-1-(3-methoxy-2-methylpropyl)piperazine
CID 64946387
3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine (CID 64946841) is 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine is CCC1CNC(C2CC2)CN1c1cccc(COC)c1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine?
The InChIKey is YXKHTZJGROWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-15-10-18-17(14-7-8-14)11-19(15)16-6-4-5-13(9-16)12-20-2/h4-6,9,14-15,17-18H,3,7-8,10-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine?
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.80, 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]piperazine is sourced from PubChem (CID 64946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).