1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine

C15H22N2 — CID 171294160

IUPAC1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccc(C)cc1)N1CCNCC1
InChIInChI=1S/C15H22N2/c1-3-4-15(17-11-9-16-10-12-17)14-7-5-13(2)6-8-14/h3,5-8,15-16H,1,4,9-12H2,2H3/t15-/m1/s1
InChIKeyWYVNNYQDRGLMOF-OAHLLOKOSA-N
MW230.36 g/mol
LogP2.52
Rot. Bonds4

About 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine

1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine (PubChem CID 171294160) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
PubChem CID171294160
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccc(C)cc1)N1CCNCC1
InChIInChI=1S/C15H22N2/c1-3-4-15(17-11-9-16-10-12-17)14-7-5-13(2)6-8-14/h3,5-8,15-16H,1,4,9-12H2,2H3/t15-/m1/s1
InChIKeyWYVNNYQDRGLMOF-OAHLLOKOSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.52
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-[(1R)-1-(4-ethylphenyl)but-3-enyl]piperazine
CID 171293770
1-[(1S)-1-(4-ethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171281149
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]but-3-enyl]piperazine;hydrochloride
CID 171167114
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)but-3-enyl]piperazine
CID 171282356
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171290259
1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine
CID 171287548
[4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenyl] acetate;dihydrochloride
CID 171292898
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171282357

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine (CID 171294160) is 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine is C=CC[C@H](c1ccc(C)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine?
The InChIKey is WYVNNYQDRGLMOF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-4-15(17-11-9-16-10-12-17)14-7-5-13(2)6-8-14/h3,5-8,15-16H,1,4,9-12H2,2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine?
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine has a molecular weight of 230.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171294160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).