8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H20N4O3 — CID 63769614

IUPAC8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNNc1ccc(CN2C3CCC2CC(O)C3)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c15-16-13-4-1-9(5-14(13)18(20)21)8-17-10-2-3-11(17)7-12(19)6-10/h1,4-5,10-12,16,19H,2-3,6-8,15H2
InChIKeyORNKRYZFFLOYQK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.37
Rot. Bonds4

About 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769614) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769614
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNNc1ccc(CN2C3CCC2CC(O)C3)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c15-16-13-4-1-9(5-14(13)18(20)21)8-17-10-2-3-11(17)7-12(19)6-10/h1,4-5,10-12,16,19H,2-3,6-8,15H2
InChIKeyORNKRYZFFLOYQK-UHFFFAOYSA-N
XLogP1.37
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512786
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383

Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769614) is 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is NNc1ccc(CN2C3CCC2CC(O)C3)cc1[N+](=O)[O-].
What is the InChIKey of 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ORNKRYZFFLOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-16-13-4-1-9(5-14(13)18(20)21)8-17-10-2-3-11(17)7-12(19)6-10/h1,4-5,10-12,16,19H,2-3,6-8,15H2.
What are the key properties of 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 292.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).