1-(1-ethylpiperidin-4-yl)-5-nitroindazole

C14H18N4O2 — CID 68610601

IUPAC1-(1-ethylpiperidin-4-yl)-5-nitroindazole
SMILESCCN1CCC(n2ncc3cc([N+](=O)[O-])ccc32)CC1
InChIInChI=1S/C14H18N4O2/c1-2-16-7-5-12(6-8-16)17-14-4-3-13(18(19)20)9-11(14)10-15-17/h3-4,9-10,12H,2,5-8H2,1H3
InChIKeyUAIFQVOHBBWMHT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.60
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-5-nitroindazole

1-(1-ethylpiperidin-4-yl)-5-nitroindazole (PubChem CID 68610601) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-5-nitroindazole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-5-nitroindazole
PubChem CID68610601
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(1-ethylpiperidin-4-yl)-5-nitroindazole
SMILESCCN1CCC(n2ncc3cc([N+](=O)[O-])ccc32)CC1
InChIInChI=1S/C14H18N4O2/c1-2-16-7-5-12(6-8-16)17-14-4-3-13(18(19)20)9-11(14)10-15-17/h3-4,9-10,12H,2,5-8H2,1H3
InChIKeyUAIFQVOHBBWMHT-UHFFFAOYSA-N
XLogP2.60
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
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-(1-ethylpiperidin-4-yl)-6-nitroindazole
CID 68609478
6-nitro-1-(1-propylpiperidin-4-yl)indazole
CID 68607900
1-(1-cyclopentylpiperidin-4-yl)-6-nitroindazole
CID 68609697
ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate
CID 29427718
2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060658
1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine
CID 30983093
1-tert-butyl-5-nitroindazole
CID 15147634
1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497
N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044490
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-nitro-1,3-benzoxazol-2-amine
CID 79884179
(2,4-dimethylphenyl)-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]methanone
CID 32794355
methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-5-nitroindazole?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-5-nitroindazole (CID 68610601) is 1-(1-ethylpiperidin-4-yl)-5-nitroindazole.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-5-nitroindazole?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-5-nitroindazole is CCN1CCC(n2ncc3cc([N+](=O)[O-])ccc32)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-5-nitroindazole?
The InChIKey is UAIFQVOHBBWMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-16-7-5-12(6-8-16)17-14-4-3-13(18(19)20)9-11(14)10-15-17/h3-4,9-10,12H,2,5-8H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-5-nitroindazole?
1-(1-ethylpiperidin-4-yl)-5-nitroindazole has a molecular weight of 274.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-5-nitroindazole is sourced from PubChem (CID 68610601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).