1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine

C15H24N4O2 — CID 103186358

IUPAC1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ncc(C)c([N+](=O)[O-])c2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11-9-17-13(12(2)14(11)19(20)21)10-18-7-5-15(3,16-4)6-8-18/h9,16H,5-8,10H2,1-4H3
InChIKeyGPVBVBFMTWPMPD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.18
Rot. Bonds4

About 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 103186358) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID103186358
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2ncc(C)c([N+](=O)[O-])c2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11-9-17-13(12(2)14(11)19(20)21)10-18-7-5-15(3,16-4)6-8-18/h9,16H,5-8,10H2,1-4H3
InChIKeyGPVBVBFMTWPMPD-UHFFFAOYSA-N
XLogP2.18
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.18
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-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 107160811
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304899
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 103186282
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
CID 103186311
[4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]morpholin-2-yl]methanol
CID 103182805
2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-5-iodopyridazin-3-one
CID 103182081
1-[1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]triazol-4-yl]-N-methylmethanamine
CID 103183039
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
CID 103184788
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 103186194
2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816
[1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azepan-2-yl]methanol
CID 103182849
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 103185755

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 103186358) is 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2ncc(C)c([N+](=O)[O-])c2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is GPVBVBFMTWPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-17-13(12(2)14(11)19(20)21)10-18-7-5-15(3,16-4)6-8-18/h9,16H,5-8,10H2,1-4H3.
What are the key properties of 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 292.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 103186358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).