1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine

C13H19N3O2 — CID 79033555

IUPAC1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine
SMILESCC1CC(Nc2ccc([N+](=O)[O-])cc2)CCN1C
InChIInChI=1S/C13H19N3O2/c1-10-9-12(7-8-15(10)2)14-11-3-5-13(6-4-11)16(17)18/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyYAKKAWOLXJYMNE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.49
Rot. Bonds3

About 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine

1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine (PubChem CID 79033555) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine
PubChem CID79033555
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine
SMILESCC1CC(Nc2ccc([N+](=O)[O-])cc2)CCN1C
InChIInChI=1S/C13H19N3O2/c1-10-9-12(7-8-15(10)2)14-11-3-5-13(6-4-11)16(17)18/h3-6,10,12,14H,7-9H2,1-2H3
InChIKeyYAKKAWOLXJYMNE-UHFFFAOYSA-N
XLogP2.49
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 118060499
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549
1-N-(4-nitrophenyl)cyclohexane-1,3-diamine
CID 79459238
5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol
CID 107700642
1-methylsulfonyl-N-(4-nitrophenyl)piperidin-3-amine
CID 47406229
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
ethyl (3S)-3-(4-nitroanilino)pyrrolidine-1-carboxylate
CID 66738744
4-N-(1,2-dimethylpiperidin-4-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002828
N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466441
tert-butyl (3S)-3-(4-nitroanilino)pyrrolidine-1-carboxylate;sulfane
CID 162112445

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine (CID 79033555) is 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine is CC1CC(Nc2ccc([N+](=O)[O-])cc2)CCN1C.
What is the InChIKey of 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine?
The InChIKey is YAKKAWOLXJYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-9-12(7-8-15(10)2)14-11-3-5-13(6-4-11)16(17)18/h3-6,10,12,14H,7-9H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine?
1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 79033555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).