2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol

C13H19N3O3 — CID 80767784

IUPAC2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
SMILESNc1cccc(N2CCCCC2CCO)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c14-11-5-3-6-12(13(11)16(18)19)15-8-2-1-4-10(15)7-9-17/h3,5-6,10,17H,1-2,4,7-9,14H2
InChIKeyFNXXEDGYUHNLDL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol

2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol (PubChem CID 80767784) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
PubChem CID80767784
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
SMILESNc1cccc(N2CCCCC2CCO)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c14-11-5-3-6-12(13(11)16(18)19)15-8-2-1-4-10(15)7-9-17/h3,5-6,10,17H,1-2,4,7-9,14H2
InChIKeyFNXXEDGYUHNLDL-UHFFFAOYSA-N
XLogP1.92
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(3-amino-2-nitrophenyl)piperidin-2-yl]methanol
CID 80794415
2-[1-(4-chloro-2-nitrophenyl)piperidin-2-yl]ethanol
CID 60677657
4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-nitrobenzamide
CID 60677769
(3-amino-2-nitrophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 115548833
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-chloro-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 55079597
2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928301
2-nitro-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 90422672
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962
2-[4-(3-amino-2-nitrophenyl)-1,4-diazepan-1-yl]ethanol
CID 107226740
2-chloro-N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945268
2-bromo-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 114881895

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol (CID 80767784) is 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol is Nc1cccc(N2CCCCC2CCO)c1[N+](=O)[O-].
What is the InChIKey of 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol?
The InChIKey is FNXXEDGYUHNLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-11-5-3-6-12(13(11)16(18)19)15-8-2-1-4-10(15)7-9-17/h3,5-6,10,17H,1-2,4,7-9,14H2.
What are the key properties of 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol?
2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol has a molecular weight of 265.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 80767784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).