3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine

C17H26N2O — CID 102908457

IUPAC3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine
SMILESCOCCc1ccccc1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C17H26N2O/c1-17(15-7-8-15)13-19(11-10-18-17)16-6-4-3-5-14(16)9-12-20-2/h3-6,15,18H,7-13H2,1-2H3
InChIKeyBFZNZRYWHHSXTI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.45
Rot. Bonds5

About 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine

3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine (PubChem CID 102908457) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine
PubChem CID102908457
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine
SMILESCOCCc1ccccc1N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C17H26N2O/c1-17(15-7-8-15)13-19(11-10-18-17)16-6-4-3-5-14(16)9-12-20-2/h3-6,15,18H,7-13H2,1-2H3
InChIKeyBFZNZRYWHHSXTI-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-methyl-1-(2-methylphenyl)piperazine
CID 64926213
3-ethyl-1-[2-(2-methoxyethyl)phenyl]-1,4-diazepane
CID 102908437
2,5-diethyl-1-[2-(2-methoxyethyl)phenyl]-5-methylpiperazine
CID 102908460
3-cyclopropyl-3-methyl-1-(2-methyl-3-pyridinyl)-1,4-diazepane
CID 79043351
3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
CID 64924869
3-cyclopropyl-3-methyl-1-(2-phenoxyethyl)piperazine
CID 64833088
1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924297
3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine
CID 64952529
2-[2-(2-methoxyethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102908462
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
CID 64926348
1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924308

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine (CID 102908457) is 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine is COCCc1ccccc1N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine?
The InChIKey is BFZNZRYWHHSXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(15-7-8-15)13-19(11-10-18-17)16-6-4-3-5-14(16)9-12-20-2/h3-6,15,18H,7-13H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine?
3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-(2-methoxyethyl)phenyl]-3-methylpiperazine is sourced from PubChem (CID 102908457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).