1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol

C12H18N4O3 — CID 62244985

IUPAC1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
SMILESNNc1ccc(CN2CCC(O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-14-11-2-1-9(7-12(11)16(18)19)8-15-5-3-10(17)4-6-15/h1-2,7,10,14,17H,3-6,8,13H2
InChIKeyLZRORCLUFPNDOM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds4

About 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol

1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol (PubChem CID 62244985) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
PubChem CID62244985
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
SMILESNNc1ccc(CN2CCC(O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-14-11-2-1-9(7-12(11)16(18)19)8-15-5-3-10(17)4-6-15/h1-2,7,10,14,17H,3-6,8,13H2
InChIKeyLZRORCLUFPNDOM-UHFFFAOYSA-N
XLogP0.84
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
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]-N,N-dimethylpiperidin-4-amine
CID 62244541
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769614
1-[[4-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 62941360
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 62246313
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine
CID 63025123

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol (CID 62244985) is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol is NNc1ccc(CN2CCC(O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol?
The InChIKey is LZRORCLUFPNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-14-11-2-1-9(7-12(11)16(18)19)8-15-5-3-10(17)4-6-15/h1-2,7,10,14,17H,3-6,8,13H2.
What are the key properties of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol?
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol has a molecular weight of 266.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 62244985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).