3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol

C15H17N3O3 — CID 114680956

IUPAC3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
SMILESCC1CN(c2c([N+](=O)[O-])cnc3ccccc23)CCC1O
InChIInChI=1S/C15H17N3O3/c1-10-9-17(7-6-14(10)19)15-11-4-2-3-5-12(11)16-8-13(15)18(20)21/h2-5,8,10,14,19H,6-7,9H2,1H3
InChIKeyCIBZJMXTPCPVDT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol

3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol (PubChem CID 114680956) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
PubChem CID114680956
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
SMILESCC1CN(c2c([N+](=O)[O-])cnc3ccccc23)CCC1O
InChIInChI=1S/C15H17N3O3/c1-10-9-17(7-6-14(10)19)15-11-4-2-3-5-12(11)16-8-13(15)18(20)21/h2-5,8,10,14,19H,6-7,9H2,1H3
InChIKeyCIBZJMXTPCPVDT-UHFFFAOYSA-N
XLogP2.35
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.35
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-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
CID 103964899
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 115300891
N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
CID 103964018
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-nitroquinoline
CID 103964827
6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carbonitrile
CID 103473000
4-(4-hydroxy-3-methylpiperidin-1-yl)-2-nitrobenzonitrile
CID 114678522
3-nitroquinoline-4-carboxamide
CID 19034747
7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline
CID 167813405
(4-hydroxy-3-methylpiperidin-1-yl)-(2-nitrophenyl)methanone
CID 114680135
4-chloro-3-nitroquinoline;ethane
CID 90799881

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol (CID 114680956) is 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol is CC1CN(c2c([N+](=O)[O-])cnc3ccccc23)CCC1O.
What is the InChIKey of 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol?
The InChIKey is CIBZJMXTPCPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-9-17(7-6-14(10)19)15-11-4-2-3-5-12(11)16-8-13(15)18(20)21/h2-5,8,10,14,19H,6-7,9H2,1H3.
What are the key properties of 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol?
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol has a molecular weight of 287.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 114680956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).