5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine

C17H26N2O — CID 64946803

IUPAC5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
SMILESCCCOc1ccc(N2CC(C3CC3)NCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-3-10-20-16-8-6-15(7-9-16)19-12-17(14-4-5-14)18-11-13(19)2/h6-9,13-14,17-18H,3-5,10-12H2,1-2H3
InChIKeyOVVCNJJDSLYMOW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.05
Rot. Bonds5

About 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine

5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine (PubChem CID 64946803) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
PubChem CID64946803
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
SMILESCCCOc1ccc(N2CC(C3CC3)NCC2C)cc1
InChIInChI=1S/C17H26N2O/c1-3-10-20-16-8-6-15(7-9-16)19-12-17(14-4-5-14)18-11-13(19)2/h6-9,13-14,17-18H,3-5,10-12H2,1-2H3
InChIKeyOVVCNJJDSLYMOW-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-cyclopropyl-2-methylpiperazine
CID 64933898
5-cyclopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64932560
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
1-(4-bromo-3-methoxyphenyl)-5-cyclopropyl-2-methylpiperazine
CID 82861136
1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
3-methyl-1-(4-propoxyphenyl)-1,4-diazepane
CID 64950754
3-cyclopropyl-1-(4-ethoxyphenyl)-1,4-diazepane
CID 64941701
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
1-(4-butylphenyl)-5-cyclopropyl-2-ethylpiperazine
CID 64934243
5-cyclopropyl-1-(2,4-dimethylphenyl)-2-methylpiperazine
CID 64930667
5-cyclopropyl-2-ethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64931158
6-[(4-propoxyphenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678584

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine (CID 64946803) is 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine is CCCOc1ccc(N2CC(C3CC3)NCC2C)cc1.
What is the InChIKey of 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine?
The InChIKey is OVVCNJJDSLYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-10-20-16-8-6-15(7-9-16)19-12-17(14-4-5-14)18-11-13(19)2/h6-9,13-14,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine?
5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine is sourced from PubChem (CID 64946803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).