5-methyl-1-(4-phenylbutyl)-2-propylpiperazine

C18H30N2 — CID 114334915

IUPAC5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
SMILESCCCC1CNC(C)CN1CCCCc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-9-18-14-19-16(2)15-20(18)13-8-7-12-17-10-5-4-6-11-17/h4-6,10-11,16,18-19H,3,7-9,12-15H2,1-2H3
InChIKeySJVKHTRBLVMPHP-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds7

About 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine

5-methyl-1-(4-phenylbutyl)-2-propylpiperazine (PubChem CID 114334915) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
PubChem CID114334915
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-methyl-1-(4-phenylbutyl)-2-propylpiperazine
SMILESCCCC1CNC(C)CN1CCCCc1ccccc1
InChIInChI=1S/C18H30N2/c1-3-9-18-14-19-16(2)15-20(18)13-8-7-12-17-10-5-4-6-11-17/h4-6,10-11,16,18-19H,3,7-9,12-15H2,1-2H3
InChIKeySJVKHTRBLVMPHP-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
2-cyclopropyl-5-methyl-1-(4-phenylbutyl)piperazine
CID 114334917
1-(3-fluoropropyl)-5-methyl-2-propylpiperazine
CID 81113110
5-methyl-1-[(3-methylphenyl)methyl]-2-propylpiperazine
CID 64844892
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
2,2,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334919
2-ethyl-5-methyl-1-(2-phenylsulfanylethyl)piperazine
CID 79224352
2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine?
The IUPAC name of 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine (CID 114334915) is 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine.
What is the SMILES notation for 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine?
The canonical SMILES for 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine is CCCC1CNC(C)CN1CCCCc1ccccc1.
What is the InChIKey of 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine?
The InChIKey is SJVKHTRBLVMPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-9-18-14-19-16(2)15-20(18)13-8-7-12-17-10-5-4-6-11-17/h4-6,10-11,16,18-19H,3,7-9,12-15H2,1-2H3.
What are the key properties of 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine?
5-methyl-1-(4-phenylbutyl)-2-propylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-phenylbutyl)-2-propylpiperazine is sourced from PubChem (CID 114334915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).