5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine

C16H22N2 — CID 64937441

IUPAC5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine
SMILESC#CC(C)(C)N1CC(C)NCC1c1ccccc1
InChIInChI=1S/C16H22N2/c1-5-16(3,4)18-12-13(2)17-11-15(18)14-9-7-6-8-10-14/h1,6-10,13,15,17H,11-12H2,2-4H3
InChIKeyGOAXGIRVAMFOHH-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.43
Rot. Bonds2

About 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine

5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine (PubChem CID 64937441) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine
PubChem CID64937441
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine
SMILESC#CC(C)(C)N1CC(C)NCC1c1ccccc1
InChIInChI=1S/C16H22N2/c1-5-16(3,4)18-12-13(2)17-11-15(18)14-9-7-6-8-10-14/h1,6-10,13,15,17H,11-12H2,2-4H3
InChIKeyGOAXGIRVAMFOHH-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine
CID 64954698
5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine
CID 113486045
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
CID 107901428
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-but-3-yn-2-yl-2-phenyl-5-propan-2-ylpiperazine
CID 114420436
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine
CID 64937541

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine?
The IUPAC name of 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine (CID 64937441) is 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine.
What is the SMILES notation for 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine?
The canonical SMILES for 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine is C#CC(C)(C)N1CC(C)NCC1c1ccccc1.
What is the InChIKey of 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine?
The InChIKey is GOAXGIRVAMFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-16(3,4)18-12-13(2)17-11-15(18)14-9-7-6-8-10-14/h1,6-10,13,15,17H,11-12H2,2-4H3.
What are the key properties of 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine?
5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine has a molecular weight of 242.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylbut-3-yn-2-yl)-2-phenylpiperazine is sourced from PubChem (CID 64937441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).