2-Nitro-n-[1-(4-pyridyl)piperidin-4-ylmethyl]aniline

HCID 12150697
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Basic information

Standard SMILES
O=[N+]([O-])c1ccccc1NCC1CCN(c2ccncc2)CC1
InChIKey
MKVLPEDWRNVEST-UHFFFAOYSA-N
Molecular formula
C17H20N4O2
Average molar mass
312.37 g/mol

Names & identifiers

Preferred name
2-Nitro-n-[1-(4-pyridyl)piperidin-4-ylmethyl]aniline
IUPAC
2-nitro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]aniline

Names & synonyms

SCHEMBL5758735MKVLPEDWRNVEST-UHFFFAOYSA-N2-nitro-n-[1-(4-pyridyl)piperidin-4-ylmethyl]aniline2-nitro-n-[1-(4-pyridyl)piperidin-4-yl-methyl]aniline

Database identifiers

PubChem CID
12150697

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
74 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

6 records
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Compound notes

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