(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C14H19NO4 — CID 107722292

IUPAC(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1O)N1CCCCC1CCO
InChIInChI=1S/C14H19NO4/c16-8-6-10-3-1-2-7-15(10)14(19)12-9-11(17)4-5-13(12)18/h4-5,9-10,16-18H,1-3,6-8H2
InChIKeyVPIFXBNHFPVBSK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds3

About (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107722292) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107722292
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1O)N1CCCCC1CCO
InChIInChI=1S/C14H19NO4/c16-8-6-10-3-1-2-7-15(10)14(19)12-9-11(17)4-5-13(12)18/h4-5,9-10,16-18H,1-3,6-8H2
InChIKeyVPIFXBNHFPVBSK-UHFFFAOYSA-N
XLogP1.47
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107722906
[2-(chloromethyl)piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone
CID 107725782
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107722473
[2-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80665142
[2-(2-chloroethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 55188177
[2-(2-bromoethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80665148
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
1-(2,5-dihydroxybenzoyl)piperidine-2-carboxamide
CID 107722668
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63402925
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103956467
(3-tert-butyl-4-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 59382234

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107722292) is (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(O)ccc1O)N1CCCCC1CCO.
What is the InChIKey of (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is VPIFXBNHFPVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-8-6-10-3-1-2-7-15(10)14(19)12-9-11(17)4-5-13(12)18/h4-5,9-10,16-18H,1-3,6-8H2.
What are the key properties of (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 265.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107722292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).