2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine

C15H18N4O2 — CID 103964815

IUPAC2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C15H18N4O2/c1-10-8-11(16)6-7-18(10)15-12-4-2-3-5-13(12)17-9-14(15)19(20)21/h2-5,9-11H,6-8,16H2,1H3
InChIKeyTVHBAVNJSBTJNT-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine

2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine (PubChem CID 103964815) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
PubChem CID103964815
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
SMILESCC1CC(N)CCN1c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C15H18N4O2/c1-10-8-11(16)6-7-18(10)15-12-4-2-3-5-13(12)17-9-14(15)19(20)21/h2-5,9-11H,6-8,16H2,1H3
InChIKeyTVHBAVNJSBTJNT-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine (CID 103964815) is 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine is CC1CC(N)CCN1c1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine?
The InChIKey is TVHBAVNJSBTJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-11(16)6-7-18(10)15-12-4-2-3-5-13(12)17-9-14(15)19(20)21/h2-5,9-11H,6-8,16H2,1H3.
What are the key properties of 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine?
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine is sourced from PubChem (CID 103964815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).