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

C14H19NO5 — CID 84582248

IUPAC(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone
SMILESCOC1(OC)CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H19NO5/c1-19-14(20-2)3-5-15(6-4-14)13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,3-6H2,1-2H3
InChIKeyNIBWCKXNFBKIEO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.32
Rot. Bonds3

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

(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone (PubChem CID 84582248) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone
PubChem CID84582248
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone
SMILESCOC1(OC)CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C14H19NO5/c1-19-14(20-2)3-5-15(6-4-14)13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,3-6H2,1-2H3
InChIKeyNIBWCKXNFBKIEO-UHFFFAOYSA-N
XLogP1.32
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 107702562
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
(3,5-dihydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103579430
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737645
(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107703961
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(3,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314401

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone (CID 84582248) is (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone is COC1(OC)CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone?
The InChIKey is NIBWCKXNFBKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-14(20-2)3-5-15(6-4-14)13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,3-6H2,1-2H3.
What are the key properties of (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone?
(3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone has a molecular weight of 281.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(4,4-dimethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 84582248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).