[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine

C14H22N4O2 — CID 104968907

IUPAC[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O2/c1-10-4-3-5-11(2)17(10)9-12-6-7-13(16-15)14(8-12)18(19)20/h6-8,10-11,16H,3-5,9,15H2,1-2H3/t10-,11+
InChIKeyHUEYJKVRNBYRSR-PHIMTYICSA-N
MW278.36 g/mol
LogP2.64
Rot. Bonds4

About [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine

[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine (PubChem CID 104968907) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
PubChem CID104968907
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O2/c1-10-4-3-5-11(2)17(10)9-12-6-7-13(16-15)14(8-12)18(19)20/h6-8,10-11,16H,3-5,9,15H2,1-2H3/t10-,11+
InChIKeyHUEYJKVRNBYRSR-PHIMTYICSA-N
XLogP2.64
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
CID 43169156
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769614
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
N-ethyl-4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 83219748
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine (CID 104968907) is [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine is C[C@@H]1CCC[C@H](C)N1Cc1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine?
The InChIKey is HUEYJKVRNBYRSR-PHIMTYICSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-4-3-5-11(2)17(10)9-12-6-7-13(16-15)14(8-12)18(19)20/h6-8,10-11,16H,3-5,9,15H2,1-2H3/t10-,11+.
What are the key properties of [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine?
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 104968907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).