[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine

C15H23N3O3 — CID 115963082

IUPAC[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(C(C)c2ccccc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C15H23N3O3/c1-11(14-5-3-4-6-15(14)18(19)20)17-8-7-13(21-2)9-12(17)10-16/h3-6,11-13H,7-10,16H2,1-2H3
InChIKeyZSMYJNRIPMWKGC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.09
Rot. Bonds5

About [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine

[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 115963082) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
PubChem CID115963082
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(C(C)c2ccccc2[N+](=O)[O-])C(CN)C1
InChIInChI=1S/C15H23N3O3/c1-11(14-5-3-4-6-15(14)18(19)20)17-8-7-13(21-2)9-12(17)10-16/h3-6,11-13H,7-10,16H2,1-2H3
InChIKeyZSMYJNRIPMWKGC-UHFFFAOYSA-N
XLogP2.09
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
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

[1-(2-fluoro-6-nitrophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718884
3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
CID 112621904
[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
CID 115963202
[4-methoxy-1-(3-nitro-4-pyridinyl)piperidin-2-yl]methanamine
CID 112622900
[1-[(3-fluoro-4-nitrophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963575
[1-(5-bromo-4-fluoro-2-nitrophenyl)-4-methoxypiperidin-2-yl]methanamine
CID 116739598
[1-(2-bromo-4-nitrophenyl)-4-methoxypiperidin-2-yl]methanamine
CID 115963898
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[4-methoxy-1-(1-methoxybutan-2-yl)piperidin-2-yl]methanamine
CID 112622134
1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
CID 93464471
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 103441931

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine (CID 115963082) is [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine is COC1CCN(C(C)c2ccccc2[N+](=O)[O-])C(CN)C1.
What is the InChIKey of [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is ZSMYJNRIPMWKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(14-5-3-4-6-15(14)18(19)20)17-8-7-13(21-2)9-12(17)10-16/h3-6,11-13H,7-10,16H2,1-2H3.
What are the key properties of [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 293.37 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 [4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).