(3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone

C12H14N2O5 — CID 103604644

IUPAC(3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O)CC1
InChIInChI=1S/C12H14N2O5/c15-9-3-5-13(6-4-9)12(17)8-1-2-10(14(18)19)11(16)7-8/h1-2,7,9,15-16H,3-6H2
InChIKeyOESXWWYXGVMVMN-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.90
Rot. Bonds2

About (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone

(3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 103604644) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID103604644
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O)CC1
InChIInChI=1S/C12H14N2O5/c15-9-3-5-13(6-4-9)12(17)8-1-2-10(14(18)19)11(16)7-8/h1-2,7,9,15-16H,3-6H2
InChIKeyOESXWWYXGVMVMN-UHFFFAOYSA-N
XLogP0.90
TPSA103.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
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

(4-hydroxypiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 9245657
azocan-1-yl-(3-hydroxy-4-nitrophenyl)methanone
CID 103604579
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 107076788
(3-hydroxy-4-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 113225086
[4-(3-hydroxy-4-nitrobenzoyl)piperazin-1-yl]-phenylmethanone
CID 24545155
(3-hydroxy-4-nitrophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 103747814
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-nitrophenyl)methanone
CID 103713639
[4-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60675953
[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 97212484
(4-chloro-3-nitrophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877647
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 103745555
(3-hydroxy-4-nitrophenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103852419

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 103604644) is (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O)CC1.
What is the InChIKey of (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is OESXWWYXGVMVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-9-3-5-13(6-4-9)12(17)8-1-2-10(14(18)19)11(16)7-8/h1-2,7,9,15-16H,3-6H2.
What are the key properties of (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
(3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 266.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 103604644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).