1-(3-methoxy-2-nitrophenyl)piperidin-3-ol

C12H16N2O4 — CID 113393178

IUPAC1-(3-methoxy-2-nitrophenyl)piperidin-3-ol
SMILESCOc1cccc(N2CCCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-18-11-6-2-5-10(12(11)14(16)17)13-7-3-4-9(15)8-13/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyDWXGLTIENQNQAD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.56
Rot. Bonds3

About 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol

1-(3-methoxy-2-nitrophenyl)piperidin-3-ol (PubChem CID 113393178) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-methoxy-2-nitrophenyl)piperidin-3-ol
PubChem CID113393178
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-(3-methoxy-2-nitrophenyl)piperidin-3-ol
SMILESCOc1cccc(N2CCCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-18-11-6-2-5-10(12(11)14(16)17)13-7-3-4-9(15)8-13/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyDWXGLTIENQNQAD-UHFFFAOYSA-N
XLogP1.56
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.56
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

(3S)-1-(2-nitro-3-propoxyphenyl)piperidin-3-ol
CID 107225458
(3R)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-ol
CID 113423410
1-(5-methyl-2-nitrophenyl)piperidin-3-ol
CID 79020369
2-(3-hydroxypiperidin-1-yl)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18281229
2-[1-(3-methoxy-2-nitrophenyl)azetidin-3-yl]propanoic acid
CID 116682033
[1-(3-methoxy-2-nitrophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786974
(3-hydroxypiperidin-1-yl)-(2-methoxy-6-nitrophenyl)methanone
CID 81421108
1-(3-nitrophenyl)piperidin-3-ol
CID 60981138
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
CID 80919019
1-(4-bromo-2-nitrophenyl)piperidin-3-ol
CID 55362682
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
3-(3-aminopiperidin-1-yl)-2-nitrobenzoic acid
CID 113332062

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol?
The IUPAC name of 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol (CID 113393178) is 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol?
The canonical SMILES for 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol is COc1cccc(N2CCCC(O)C2)c1[N+](=O)[O-].
What is the InChIKey of 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol?
The InChIKey is DWXGLTIENQNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-11-6-2-5-10(12(11)14(16)17)13-7-3-4-9(15)8-13/h2,5-6,9,15H,3-4,7-8H2,1H3.
What are the key properties of 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol?
1-(3-methoxy-2-nitrophenyl)piperidin-3-ol has a molecular weight of 252.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-nitrophenyl)piperidin-3-ol is sourced from PubChem (CID 113393178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).