5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine

C19H30N2 — CID 114334950

IUPAC5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
SMILESCC1CNC(C)(C2CC2)CN1CCCCc1ccccc1
InChIInChI=1S/C19H30N2/c1-16-14-20-19(2,18-11-12-18)15-21(16)13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3
InChIKeyUGRGBQCWVFIKSK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.47
Rot. Bonds6

About 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine

5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine (PubChem CID 114334950) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
PubChem CID114334950
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
SMILESCC1CNC(C)(C2CC2)CN1CCCCc1ccccc1
InChIInChI=1S/C19H30N2/c1-16-14-20-19(2,18-11-12-18)15-21(16)13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3
InChIKeyUGRGBQCWVFIKSK-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
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

2,5,5-trimethyl-1-(4-phenylbutyl)piperazine
CID 114334930
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
CID 64861186
3,3,7-trimethyl-1-(3-phenylpropyl)-1,4-diazepane
CID 64870396
4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946958
5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
CID 113287832
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097008
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64875570
1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 114153759
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614
2-[(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64876136
1-(2-cyclohexylethyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64934954
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine (CID 114334950) is 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine is CC1CNC(C)(C2CC2)CN1CCCCc1ccccc1.
What is the InChIKey of 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine?
The InChIKey is UGRGBQCWVFIKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-14-20-19(2,18-11-12-18)15-21(16)13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine?
5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine is sourced from PubChem (CID 114334950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).