N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine

C13H19N3O3 — CID 83013548

IUPACN-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CNN1CCCCC1
InChIInChI=1S/C13H19N3O3/c1-19-13-6-5-12(16(17)18)9-11(13)10-14-15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKeyOZJHLTFMNWUOIO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.09
Rot. Bonds5

About N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine

N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine (PubChem CID 83013548) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
PubChem CID83013548
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
SMILESCOc1ccc([N+](=O)[O-])cc1CNN1CCCCC1
InChIInChI=1S/C13H19N3O3/c1-19-13-6-5-12(16(17)18)9-11(13)10-14-15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,10H2,1H3
InChIKeyOZJHLTFMNWUOIO-UHFFFAOYSA-N
XLogP2.09
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
2-methoxy-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082616
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43212568
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
1-(2-methoxy-5-nitrophenyl)-N-(2-methylpropoxy)methanamine
CID 82714383

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine?
The IUPAC name of N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine (CID 83013548) is N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine is COc1ccc([N+](=O)[O-])cc1CNN1CCCCC1.
What is the InChIKey of N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine?
The InChIKey is OZJHLTFMNWUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-13-6-5-12(16(17)18)9-11(13)10-14-15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8,10H2,1H3.
What are the key properties of N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine?
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine has a molecular weight of 265.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 83013548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).