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

C14H19N3O4 — CID 171296778

IUPAC2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)N1CCNCC1
InChIInChI=1S/C14H19N3O4/c1-3-12(16-6-4-15-5-7-16)11-8-10(17(19)20)9-13(21-2)14(11)18/h3,8-9,12,15,18H,1,4-7H2,2H3/t12-/m1/s1
InChIKeyLBPPCFNHBCTFEM-GFCCVEGCSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds5

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

2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 171296778) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID171296778
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)N1CCNCC1
InChIInChI=1S/C14H19N3O4/c1-3-12(16-6-4-15-5-7-16)11-8-10(17(19)20)9-13(21-2)14(11)18/h3,8-9,12,15,18H,1,4-7H2,2H3/t12-/m1/s1
InChIKeyLBPPCFNHBCTFEM-GFCCVEGCSA-N
XLogP1.44
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-nitro-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-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-methoxy-4-nitrophenol
CID 171284161
4-bromo-2-methoxy-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171294673
2-methoxy-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]-4-nitrophenol;dihydrochloride
CID 171284186
2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171296803
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-methoxy-4-nitrophenol
CID 171296794
2-methoxy-4-nitro-6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304163
2,3-dibromo-6-methoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171283674
4-hydroxy-3-nitro-5-[(1S)-1-piperazin-1-ylprop-2-enyl]benzonitrile
CID 171299518
3-methoxy-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171287117
2-methoxy-6-nitro-4-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171279403
2-methoxy-6-nitro-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171292025
2-methoxy-4-nitro-6-(3-piperazin-1-ylpropyl)phenol
CID 112720063

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (CID 171296778) is 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)N1CCNCC1.
What is the InChIKey of 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is LBPPCFNHBCTFEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-12(16-6-4-15-5-7-16)11-8-10(17(19)20)9-13(21-2)14(11)18/h3,8-9,12,15,18H,1,4-7H2,2H3/t12-/m1/s1.
What are the key properties of 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol has a molecular weight of 293.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 171296778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).