1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine

C15H22N2O — CID 171295226

IUPAC1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1ccc(OC)cc1C)N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-4-15(17-9-7-16-8-10-17)14-6-5-13(18-3)11-12(14)2/h4-6,11,15-16H,1,7-10H2,2-3H3/t15-/m1/s1
InChIKeyIVDFTRAIOBJIPA-OAHLLOKOSA-N
MW246.35 g/mol
LogP2.14
Rot. Bonds4

About 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine

1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine (PubChem CID 171295226) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
PubChem CID171295226
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1ccc(OC)cc1C)N1CCNCC1
InChIInChI=1S/C15H22N2O/c1-4-15(17-9-7-16-8-10-17)14-6-5-13(18-3)11-12(14)2/h4-6,11,15-16H,1,7-10H2,2-3H3/t15-/m1/s1
InChIKeyIVDFTRAIOBJIPA-OAHLLOKOSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-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-(4-fluoro-2-methylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171275255
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
5-methoxy-3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171273728
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173304
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
3-methoxy-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171287117
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine (CID 171295226) is 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine is C=C[C@H](c1ccc(OC)cc1C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine?
The InChIKey is IVDFTRAIOBJIPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(17-9-7-16-8-10-17)14-6-5-13(18-3)11-12(14)2/h4-6,11,15-16H,1,7-10H2,2-3H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine?
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 171295226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).