4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

C14H19BrN2O2 — CID 171294673

IUPAC4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc(Br)cc(OC)c1O)N1CCNCC1
InChIInChI=1S/C14H19BrN2O2/c1-3-12(17-6-4-16-5-7-17)11-8-10(15)9-13(19-2)14(11)18/h3,8-9,12,16,18H,1,4-7H2,2H3/t12-/m1/s1
InChIKeyQUSCBTCDABYSHS-GFCCVEGCSA-N
MW327.22 g/mol
LogP2.30
Rot. Bonds4

About 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 171294673) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID171294673
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc(Br)cc(OC)c1O)N1CCNCC1
InChIInChI=1S/C14H19BrN2O2/c1-3-12(17-6-4-16-5-7-17)11-8-10(15)9-13(19-2)14(11)18/h3,8-9,12,16,18H,1,4-7H2,2H3/t12-/m1/s1
InChIKeyQUSCBTCDABYSHS-GFCCVEGCSA-N
XLogP2.30
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.30
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-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-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

2,3-dibromo-6-methoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171283674
2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171296778
4-bromo-2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-methoxyphenol
CID 171282056
4-bromo-2-[(1S)-1-piperazin-1-ylprop-2-enyl]-6-(trifluoromethyl)phenol
CID 171299398
1-[(1R)-1-(4-bromo-2,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171295771
4-bromo-2-methoxy-6-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171181082
3-methoxy-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171287117
4-bromo-2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-6-methoxyphenol;hydrochloride
CID 171167280
4-bromo-2-methoxy-6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171172565
(3S)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306332
4-bromo-2-methoxy-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171282069
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (CID 171294673) is 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@H](c1cc(Br)cc(OC)c1O)N1CCNCC1.
What is the InChIKey of 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is QUSCBTCDABYSHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-12(17-6-4-16-5-7-17)11-8-10(15)9-13(19-2)14(11)18/h3,8-9,12,16,18H,1,4-7H2,2H3/t12-/m1/s1.
What are the key properties of 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol has a molecular weight of 327.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 171294673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).