5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine

C16H24N2 — CID 107901428

IUPAC5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
SMILESCC(C)=CCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C16H24N2/c1-13(2)9-10-18-12-14(3)17-11-16(18)15-7-5-4-6-8-15/h4-9,14,16-17H,10-12H2,1-3H3
InChIKeyPHJYHXOJZNDYHI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.99
Rot. Bonds3

About 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine

5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine (PubChem CID 107901428) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
PubChem CID107901428
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
SMILESCC(C)=CCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C16H24N2/c1-13(2)9-10-18-12-14(3)17-11-16(18)15-7-5-4-6-8-15/h4-9,14,16-17H,10-12H2,1-3H3
InChIKeyPHJYHXOJZNDYHI-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
CID 64938924
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine
CID 64954698
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
1-(3,4-dichlorophenyl)-5-methyl-2-phenylpiperazine
CID 64938465

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine?
The IUPAC name of 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine (CID 107901428) is 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine.
What is the SMILES notation for 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine?
The canonical SMILES for 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine is CC(C)=CCN1CC(C)NCC1c1ccccc1.
What is the InChIKey of 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine?
The InChIKey is PHJYHXOJZNDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)9-10-18-12-14(3)17-11-16(18)15-7-5-4-6-8-15/h4-9,14,16-17H,10-12H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine?
5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine is sourced from PubChem (CID 107901428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).