(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H18N2O3 — CID 107721207

IUPAC(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C13H18N2O3/c1-14-9-4-6-15(7-5-9)13(18)11-8-10(16)2-3-12(11)17/h2-3,8-9,14,16-17H,4-7H2,1H3
InChIKeySUPDWXKESDLTLK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds2

About (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 107721207) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID107721207
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C13H18N2O3/c1-14-9-4-6-15(7-5-9)13(18)11-8-10(16)2-3-12(11)17/h2-3,8-9,14,16-17H,4-7H2,1H3
InChIKeySUPDWXKESDLTLK-UHFFFAOYSA-N
XLogP0.92
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.92
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)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107725091
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
(2,5-dihydroxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107723207
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
(2,5-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 107722294
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 107721207) is (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(O)ccc2O)CC1.
What is the InChIKey of (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is SUPDWXKESDLTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-9-4-6-15(7-5-9)13(18)11-8-10(16)2-3-12(11)17/h2-3,8-9,14,16-17H,4-7H2,1H3.
What are the key properties of (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107721207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).