4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol

C15H22N2O2 — CID 171288520

IUPAC4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
SMILESC=CC[C@H](c1cc(OC)ccc1O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-4-14(17-9-7-16-8-10-17)13-11-12(19-2)5-6-15(13)18/h3,5-6,11,14,16,18H,1,4,7-10H2,2H3/t14-/m1/s1
InChIKeyLRQWFTQBHBAPEM-CQSZACIVSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds5

About 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol

4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol (PubChem CID 171288520) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
PubChem CID171288520
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
SMILESC=CC[C@H](c1cc(OC)ccc1O)N1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-3-4-14(17-9-7-16-8-10-17)13-11-12(19-2)5-6-15(13)18/h3,5-6,11,14,16,18H,1,4,7-10H2,2H3/t14-/m1/s1
InChIKeyLRQWFTQBHBAPEM-CQSZACIVSA-N
XLogP1.92
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol 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

4-methoxy-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171275916
2-[(1R)-1-piperazin-1-ylbut-3-enyl]benzene-1,4-diol;dihydrochloride
CID 171287417
4-methoxy-2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307637
3-methoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287122
5-methoxy-3-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole
CID 171273735
1-[(1S)-1-(2-bromo-5-methoxyphenyl)pent-4-enyl]piperazine
CID 171277514
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
CID 171183348
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
2-[(1S)-1-piperazin-1-ylpent-4-enyl]-4-(trifluoromethoxy)phenol;dihydrochloride
CID 171280511
4-methoxy-2-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288516

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The IUPAC name of 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol (CID 171288520) is 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The canonical SMILES for 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol is C=CC[C@H](c1cc(OC)ccc1O)N1CCNCC1.
What is the InChIKey of 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
The InChIKey is LRQWFTQBHBAPEM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-14(17-9-7-16-8-10-17)13-11-12(19-2)5-6-15(13)18/h3,5-6,11,14,16,18H,1,4,7-10H2,2H3/t14-/m1/s1.
What are the key properties of 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol?
4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol has a molecular weight of 262.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol is sourced from PubChem (CID 171288520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).