2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine

C15H22N2 — CID 64844166

IUPAC2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C15H22N2/c1-4-10-17-11-13(2)16-12-15(17,3)14-8-6-5-7-9-14/h4-9,13,16H,1,10-12H2,2-3H3
InChIKeySRCUXYVLEKWTBQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.38
Rot. Bonds3

About 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine

2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine (PubChem CID 64844166) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine
PubChem CID64844166
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine
SMILESC=CCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C15H22N2/c1-4-10-17-11-13(2)16-12-15(17,3)14-8-6-5-7-9-14/h4-9,13,16H,1,10-12H2,2-3H3
InChIKeySRCUXYVLEKWTBQ-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.38
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

2,5-dimethyl-1-(2-methylpropyl)-2-phenylpiperazine
CID 64843969
2,5-dimethyl-2-phenyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64845157
2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
1-(3-fluoropropyl)-2,5-dimethyl-2-phenylpiperazine
CID 81113703
1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
CID 64845546
1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
CID 106440345
1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
CID 64846932
2,5-dimethyl-2-phenyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518790
1-(4-methoxybutyl)-2,5-dimethyl-2-phenylpiperazine
CID 104650161
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine?
The IUPAC name of 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine (CID 64844166) is 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine.
What is the SMILES notation for 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine?
The canonical SMILES for 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine is C=CCN1CC(C)NCC1(C)c1ccccc1.
What is the InChIKey of 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine?
The InChIKey is SRCUXYVLEKWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-10-17-11-13(2)16-12-15(17,3)14-8-6-5-7-9-14/h4-9,13,16H,1,10-12H2,2-3H3.
What are the key properties of 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine?
2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine has a molecular weight of 230.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-phenyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 64844166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).