N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine

C13H20N4O2 — CID 104540865

IUPACN-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(c2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O2/c1-14-8-4-11-5-9-16(10-6-11)12-3-2-7-15-13(12)17(18)19/h2-3,7,11,14H,4-6,8-10H2,1H3
InChIKeyIQMYHLLBOFDHOO-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.82
Rot. Bonds5

About N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine

N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 104540865) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID104540865
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
SMILESCNCCC1CCN(c2cccnc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O2/c1-14-8-4-11-5-9-16(10-6-11)12-3-2-7-15-13(12)17(18)19/h2-3,7,11,14H,4-6,8-10H2,1H3
InChIKeyIQMYHLLBOFDHOO-UHFFFAOYSA-N
XLogP1.82
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.82
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,N-dimethyl-1-(2-nitro-3-pyridinyl)piperidin-4-amine
CID 86811030
1-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine
CID 104540847
4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
CID 104540859
[4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-yl]methanamine
CID 114961656
(3S)-3-methyl-1-(2-nitro-3-pyridinyl)piperazine
CID 104977460
2-[1-(4-iodo-2-nitrophenyl)piperidin-4-yl]-N-methylethanamine
CID 66082496
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
2-[1-(3-bromo-4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 104508244
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
N-[2-(4-methylcyclohexyl)ethyl]-2-nitropyridin-3-amine
CID 104540743
2-[1-(5-chloro-2-methyl-4-nitrophenyl)piperidin-4-yl]-N-methylethanamine
CID 115556108
5-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]-1,2-oxazol-3-one
CID 154772978

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine (CID 104540865) is N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine is CNCCC1CCN(c2cccnc2[N+](=O)[O-])CC1.
What is the InChIKey of N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is IQMYHLLBOFDHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-8-4-11-5-9-16(10-6-11)12-3-2-7-15-13(12)17(18)19/h2-3,7,11,14H,4-6,8-10H2,1H3.
What are the key properties of N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine?
N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 264.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-nitro-3-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 104540865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).