(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C14H18N2O5 — CID 103800253

IUPAC(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)C1
InChIInChI=1S/C14H18N2O5/c1-21-9-10-4-3-7-15(8-10)14(18)11-5-2-6-12(13(11)17)16(19)20/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyDMUBDPUTAHEZCL-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.80
Rot. Bonds4

About (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 103800253) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID103800253
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)C1
InChIInChI=1S/C14H18N2O5/c1-21-9-10-4-3-7-15(8-10)14(18)11-5-2-6-12(13(11)17)16(19)20/h2,5-6,10,17H,3-4,7-9H2,1H3
InChIKeyDMUBDPUTAHEZCL-UHFFFAOYSA-N
XLogP1.80
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 103874601
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
(3-ethylpiperidin-1-yl)-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936544
(3-aminopiperidin-1-yl)-(2-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119377680
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119395271
(2-hydroxy-3-nitrophenyl)-[(4R)-4-propoxyazepan-1-yl]methanone
CID 99635860
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 103800253) is (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cccc([N+](=O)[O-])c2O)C1.
What is the InChIKey of (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is DMUBDPUTAHEZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-9-10-4-3-7-15(8-10)14(18)11-5-2-6-12(13(11)17)16(19)20/h2,5-6,10,17H,3-4,7-9H2,1H3.
What are the key properties of (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 294.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103800253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).