1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine

C15H24N2O — CID 64846136

IUPAC1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
SMILESCOCCCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C15H24N2O/c1-13-12-17(9-6-10-18-2)15(11-16-13)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3
InChIKeyFIWBMTFOGDEMLN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds5

About 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine

1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine (PubChem CID 64846136) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
PubChem CID64846136
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
SMILESCOCCCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C15H24N2O/c1-13-12-17(9-6-10-18-2)15(11-16-13)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3
InChIKeyFIWBMTFOGDEMLN-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
CID 64938924
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
1-(4-methoxybutan-2-yl)-5-methyl-2-phenylpiperazine
CID 64936696
5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
CID 107901428
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64877844
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
CID 64876502
2-ethyl-1-(4-methoxybutyl)-5-methylpiperazine
CID 64939101

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine (CID 64846136) is 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine is COCCCN1CC(C)NCC1c1ccccc1.
What is the InChIKey of 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine?
The InChIKey is FIWBMTFOGDEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-12-17(9-6-10-18-2)15(11-16-13)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine?
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64846136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).