3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine

C15H18N4O2 — CID 79874850

IUPAC3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
SMILESCC1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCC1N
InChIInChI=1S/C15H18N4O2/c1-10-9-18(8-6-12(10)16)14-5-4-13-11(3-2-7-17-13)15(14)19(20)21/h2-5,7,10,12H,6,8-9,16H2,1H3
InChIKeyDDXZWEFFEMKNFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.32
Rot. Bonds2

About 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine

3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine (PubChem CID 79874850) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
PubChem CID79874850
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
SMILESCC1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCC1N
InChIInChI=1S/C15H18N4O2/c1-10-9-18(8-6-12(10)16)14-5-4-13-11(3-2-7-17-13)15(14)19(20)21/h2-5,7,10,12H,6,8-9,16H2,1H3
InChIKeyDDXZWEFFEMKNFI-UHFFFAOYSA-N
XLogP2.32
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.32
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-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine
CID 62547076
5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
CID 71892028
[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol
CID 47044516
2-(4-amino-3-methylpiperidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82812818
N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide
CID 47044541
5-nitro-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]quinoline
CID 133300760
4-methyl-1-(2-nitro-3-pyridinyl)piperidin-3-amine
CID 104540859
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
(2,5-dimethylfuran-3-yl)-[4-(5-nitroquinolin-6-yl)piperazin-1-yl]methanone
CID 47054757
methyl 2-(5-nitroquinolin-6-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450114
6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-nitroquinoline
CID 112839868
6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-nitroquinoline
CID 51117036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine (CID 79874850) is 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine is CC1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCC1N.
What is the InChIKey of 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine?
The InChIKey is DDXZWEFFEMKNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-18(8-6-12(10)16)14-5-4-13-11(3-2-7-17-13)15(14)19(20)21/h2-5,7,10,12H,6,8-9,16H2,1H3.
What are the key properties of 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine?
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine is sourced from PubChem (CID 79874850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).