(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone

C14H19NO4 — CID 79673435

IUPAC(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OC)CC2)cc1O
InChIInChI=1S/C14H19NO4/c1-18-11-5-7-15(8-6-11)14(17)10-3-4-13(19-2)12(16)9-10/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyPEZLCUWILPODHJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.65
Rot. Bonds3

About (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone

(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 79673435) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID79673435
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OC)CC2)cc1O
InChIInChI=1S/C14H19NO4/c1-18-11-5-7-15(8-6-11)14(17)10-3-4-13(19-2)12(16)9-10/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyPEZLCUWILPODHJ-UHFFFAOYSA-N
XLogP1.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
[4-(2-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732941
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79673450
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 79673435) is (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(OC)CC2)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is PEZLCUWILPODHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-11-5-7-15(8-6-11)14(17)10-3-4-13(19-2)12(16)9-10/h3-4,9,11,16H,5-8H2,1-2H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone?
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 79673435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).