(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone

C13H17NO4 — CID 113355600

IUPAC(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H17NO4/c1-18-12-2-4-14(5-3-12)13(17)9-6-10(15)8-11(16)7-9/h6-8,12,15-16H,2-5H2,1H3
InChIKeyHHRURPDVUJQAHJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.35
Rot. Bonds2

About (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone

(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 113355600) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID113355600
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H17NO4/c1-18-12-2-4-14(5-3-12)13(17)9-6-10(15)8-11(16)7-9/h6-8,12,15-16H,2-5H2,1H3
InChIKeyHHRURPDVUJQAHJ-UHFFFAOYSA-N
XLogP1.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
(3,5-dihydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103579430
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone
CID 84582248
3-(4-methoxypiperidine-1-carbonyl)-5-methylbenzenesulfonyl chloride
CID 65372090
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 113355600) is (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is HHRURPDVUJQAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-12-2-4-14(5-3-12)13(17)9-6-10(15)8-11(16)7-9/h6-8,12,15-16H,2-5H2,1H3.
What are the key properties of (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 251.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 113355600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).