4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol

C15H17N3O3 — CID 103896218

IUPAC4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol
SMILESCC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1O
InChIInChI=1S/C15H17N3O3/c1-10-5-7-17(9-15(10)19)13-2-3-14(18(20)21)12-8-16-6-4-11(12)13/h2-4,6,8,10,15,19H,5,7,9H2,1H3
InChIKeyFTQUXFSLOKOYCF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.35
Rot. Bonds2

About 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol

4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol (PubChem CID 103896218) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol
PubChem CID103896218
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol
SMILESCC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1O
InChIInChI=1S/C15H17N3O3/c1-10-5-7-17(9-15(10)19)13-2-3-14(18(20)21)12-8-16-6-4-11(12)13/h2-4,6,8,10,15,19H,5,7,9H2,1H3
InChIKeyFTQUXFSLOKOYCF-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'}

Analyze 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol
CID 75450402
1-(5-nitroisoquinolin-8-yl)pyrrolidin-3-ol
CID 103142543
1-(5-nitroisoquinolin-8-yl)pyrrolidine-3-carboxylic acid
CID 103140345
1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanone
CID 4877420
5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-nitroisoquinoline
CID 133431478
5-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-8-nitroisoquinoline
CID 95271648
morpholin-4-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-3-yl]methanone
CID 18142982
2-methyl-N-[1-(8-nitroisoquinolin-5-yl)piperidin-4-yl]furan-3-carboxamide
CID 133287364
1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 103896080
1-(8-nitroisoquinolin-5-yl)-N-phenylpiperidine-3-carboxamide
CID 42926429
(2S)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide
CID 41041453
8-nitro-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]isoquinoline
CID 133446286

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol?
The IUPAC name of 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol (CID 103896218) is 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol?
The canonical SMILES for 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol is CC1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1O.
What is the InChIKey of 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol?
The InChIKey is FTQUXFSLOKOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-5-7-17(9-15(10)19)13-2-3-14(18(20)21)12-8-16-6-4-11(12)13/h2-4,6,8,10,15,19H,5,7,9H2,1H3.
What are the key properties of 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol?
4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-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 4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-3-ol is sourced from PubChem (CID 103896218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).