1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine

C12H15ClN2O3 — CID 50879928

IUPAC1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine
SMILESCOc1cc([N+](=O)[O-])cc(Cl)c1N1CCCCC1
InChIInChI=1S/C12H15ClN2O3/c1-18-11-8-9(15(16)17)7-10(13)12(11)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyHXOZCTUBLYBNKN-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine

1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine (PubChem CID 50879928) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine
PubChem CID50879928
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine
SMILESCOc1cc([N+](=O)[O-])cc(Cl)c1N1CCCCC1
InChIInChI=1S/C12H15ClN2O3/c1-18-11-8-9(15(16)17)7-10(13)12(11)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyHXOZCTUBLYBNKN-UHFFFAOYSA-N
XLogP3.25
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-3-chloro-5-nitrobenzoic acid
CID 107189758
1-(2-bromo-6-methoxy-4-nitrophenyl)-4-ethylpiperazine
CID 50879452
1-(2-methoxy-4,6-dinitrophenyl)-2-methylpiperidine
CID 50880058
1-(2,6-dichloro-4-nitrophenyl)piperidine-3-carboxylic acid
CID 106891078
methyl 3,5-dinitro-2-piperidin-1-ylbenzoate
CID 132593444
N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
CID 106891652
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
(2-methoxy-4-nitrophenyl)-piperidin-1-ylmethanone
CID 68540547
[1-(2,6-dichloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 103952600
3-chloro-2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid
CID 107189705
1-(2-chloro-4,6-dinitrophenyl)-2-methylpiperidine
CID 50880002

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine?
The IUPAC name of 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine (CID 50879928) is 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine.
What is the SMILES notation for 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine?
The canonical SMILES for 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine is COc1cc([N+](=O)[O-])cc(Cl)c1N1CCCCC1.
What is the InChIKey of 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine?
The InChIKey is HXOZCTUBLYBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-11-8-9(15(16)17)7-10(13)12(11)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3.
What are the key properties of 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine?
1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine has a molecular weight of 270.72 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxy-4-nitrophenyl)piperidine is sourced from PubChem (CID 50879928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).