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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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).