2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol

C14H22N4O3 — CID 62246313

IUPAC2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
SMILESNNc1ccc(CN2CCCCC2CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c15-16-13-5-4-11(9-14(13)18(20)21)10-17-7-2-1-3-12(17)6-8-19/h4-5,9,12,16,19H,1-3,6-8,10,15H2
InChIKeyWUXWEWAACUHJBW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.62
Rot. Bonds6

About 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol

2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 62246313) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
PubChem CID62246313
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol
SMILESNNc1ccc(CN2CCCCC2CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c15-16-13-5-4-11(9-14(13)18(20)21)10-17-7-2-1-3-12(17)6-8-19/h4-5,9,12,16,19H,1-3,6-8,10,15H2
InChIKeyWUXWEWAACUHJBW-UHFFFAOYSA-N
XLogP1.62
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.62
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

2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
CID 62184446
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208427
[1-[[4-(ethylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208428
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 61406447
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[1-[(4-chloro-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634418
[1-[(4-amino-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62207713
8-[(4-hydrazinyl-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769614
2-[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-2-yl]ethanol
CID 62469935
3-[1-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62466930

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol (CID 62246313) is 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol is NNc1ccc(CN2CCCCC2CCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is WUXWEWAACUHJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c15-16-13-5-4-11(9-14(13)18(20)21)10-17-7-2-1-3-12(17)6-8-19/h4-5,9,12,16,19H,1-3,6-8,10,15H2.
What are the key properties of 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol?
2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 294.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62246313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).