(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

C14H20N2O3 — CID 114344485

IUPAC(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cccc(O)c2O)C1
InChIInChI=1S/C14H20N2O3/c1-15(2)10-5-4-8-16(9-10)14(19)11-6-3-7-12(17)13(11)18/h3,6-7,10,17-18H,4-5,8-9H2,1-2H3
InChIKeyFDYZOYVICIEFNW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds2

About (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone

(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 114344485) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID114344485
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCCN(C(=O)c2cccc(O)c2O)C1
InChIInChI=1S/C14H20N2O3/c1-15(2)10-5-4-8-16(9-10)14(19)11-6-3-7-12(17)13(11)18/h3,6-7,10,17-18H,4-5,8-9H2,1-2H3
InChIKeyFDYZOYVICIEFNW-UHFFFAOYSA-N
XLogP1.26
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63616283
(3-amino-2-chlorophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 112576020
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone (CID 114344485) is (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCCN(C(=O)c2cccc(O)c2O)C1.
What is the InChIKey of (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is FDYZOYVICIEFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)10-5-4-8-16(9-10)14(19)11-6-3-7-12(17)13(11)18/h3,6-7,10,17-18H,4-5,8-9H2,1-2H3.
What are the key properties of (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone?
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114344485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).