1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine

C17H27N3O4 — CID 171308285

IUPAC1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])N1CCNCC1
InChIInChI=1S/C17H27N3O4/c1-4-5-6-14(19-9-7-18-8-10-19)13-11-16(23-2)17(24-3)12-15(13)20(21)22/h11-12,14,18H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyLAUXHCKOXFTNML-CQSZACIVSA-N
MW337.42 g/mol
LogP2.75
Rot. Bonds8

About 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine

1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine (PubChem CID 171308285) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine
PubChem CID171308285
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine
SMILESCCCC[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])N1CCNCC1
InChIInChI=1S/C17H27N3O4/c1-4-5-6-14(19-9-7-18-8-10-19)13-11-16(23-2)17(24-3)12-15(13)20(21)22/h11-12,14,18H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyLAUXHCKOXFTNML-CQSZACIVSA-N
XLogP2.75
TPSA76.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]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-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-4-methylpentyl]piperazine
CID 171311221
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378
1-[(1S)-1-(4,5-dimethoxy-2-nitrophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171282455
2-methoxy-6-nitro-4-[(1R)-1-piperazin-1-ylpentyl]phenol
CID 171307979
1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)but-3-enyl]piperazine
CID 171295054
1-[(1S)-1-(4,5-dimethoxy-2-nitrophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171282435
1-[(1S)-1-(5-fluoro-2-nitrophenyl)pentyl]piperazine;dihydrochloride
CID 171309156
1-[(1S)-1-(5-fluoro-2-nitrophenyl)hexyl]piperazine
CID 171309157
1-[(1R)-1-(4-fluoro-2-nitrophenyl)hexyl]piperazine
CID 171307863
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine (CID 171308285) is 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine is CCCC[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine?
The InChIKey is LAUXHCKOXFTNML-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-4-5-6-14(19-9-7-18-8-10-19)13-11-16(23-2)17(24-3)12-15(13)20(21)22/h11-12,14,18H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine?
1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine has a molecular weight of 337.42 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4,5-dimethoxy-2-nitrophenyl)pentyl]piperazine is sourced from PubChem (CID 171308285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).