1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine

C16H24N2O — CID 171286732

IUPAC1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1cccc(OC)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O/c1-13(2)11-16(18-9-7-17-8-10-18)14-5-4-6-15(12-14)19-3/h4-6,12,16-17H,1,7-11H2,2-3H3/t16-/m1/s1
InChIKeyDZQUHOJHPWREOW-MRXNPFEDSA-N
MW260.38 g/mol
LogP2.61
Rot. Bonds5

About 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine

1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine (PubChem CID 171286732) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
PubChem CID171286732
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1cccc(OC)c1)N1CCNCC1
InChIInChI=1S/C16H24N2O/c1-13(2)11-16(18-9-7-17-8-10-18)14-5-4-6-15(12-14)19-3/h4-6,12,16-17H,1,7-11H2,2-3H3/t16-/m1/s1
InChIKeyDZQUHOJHPWREOW-MRXNPFEDSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3-iodophenyl)-3-methylbut-3-enyl]piperazine
CID 171280724
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1R)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285967
1-[(1R)-1-(3-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285907
1-[(1S)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273339
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
1-[(1R)-1-(4-methoxy-3-methylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171295223
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171274014
1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171286282
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171275617

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine (CID 171286732) is 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine is C=C(C)C[C@H](c1cccc(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine?
The InChIKey is DZQUHOJHPWREOW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)11-16(18-9-7-17-8-10-18)14-5-4-6-15(12-14)19-3/h4-6,12,16-17H,1,7-11H2,2-3H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine?
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine is sourced from PubChem (CID 171286732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).