(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H17NO4 — CID 43422462

IUPAC(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC(CO)C1
InChIInChI=1S/C13H17NO4/c15-8-9-2-1-5-14(7-9)13(18)11-4-3-10(16)6-12(11)17/h3-4,6,9,15-17H,1-2,5,7-8H2
InChIKeyHQDZGZDHMCOBOO-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.94
Rot. Bonds2

About (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43422462) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43422462
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCCC(CO)C1
InChIInChI=1S/C13H17NO4/c15-8-9-2-1-5-14(7-9)13(18)11-4-3-10(16)6-12(11)17/h3-4,6,9,15-17H,1-2,5,7-8H2
InChIKeyHQDZGZDHMCOBOO-UHFFFAOYSA-N
XLogP0.94
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(2,4-dihydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261819
(2,4-dihydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030278
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 103750365
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99928743
(2,4-dihydroxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 57440489

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43422462) is (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(O)cc1O)N1CCCC(CO)C1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is HQDZGZDHMCOBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-8-9-2-1-5-14(7-9)13(18)11-4-3-10(16)6-12(11)17/h3-4,6,9,15-17H,1-2,5,7-8H2.
What are the key properties of (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 251.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43422462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).