(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

C12H14N2O4 — CID 114343719

IUPAC(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1cccc(O)c1O)N1CCC(=NO)CC1
InChIInChI=1S/C12H14N2O4/c15-10-3-1-2-9(11(10)16)12(17)14-6-4-8(13-18)5-7-14/h1-3,15-16,18H,4-7H2
InChIKeyXSGGNMSIBDRDNT-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.16
Rot. Bonds1

About (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone

(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 114343719) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID114343719
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1cccc(O)c1O)N1CCC(=NO)CC1
InChIInChI=1S/C12H14N2O4/c15-10-3-1-2-9(11(10)16)12(17)14-6-4-8(13-18)5-7-14/h1-3,15-16,18H,4-7H2
InChIKeyXSGGNMSIBDRDNT-UHFFFAOYSA-N
XLogP1.16
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589
(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 24697162
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 43805526
(4-tert-butylpiperidin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344264
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone
CID 139689165
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312
methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 114343719) is (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is O=C(c1cccc(O)c1O)N1CCC(=NO)CC1.
What is the InChIKey of (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is XSGGNMSIBDRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-3-1-2-9(11(10)16)12(17)14-6-4-8(13-18)5-7-14/h1-3,15-16,18H,4-7H2.
What are the key properties of (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 250.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 114343719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).