(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone

C14H19NO3 — CID 82480569

IUPAC(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C14H19NO3/c1-10-9-11(3-4-13(10)18-2)14(17)15-7-5-12(16)6-8-15/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyLHQHXTZKMVKGJF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone

(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 82480569) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID82480569
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C14H19NO3/c1-10-9-11(3-4-13(10)18-2)14(17)15-7-5-12(16)6-8-15/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyLHQHXTZKMVKGJF-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
CID 152894287
CID 152894287
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072
cyclohexyl-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110801028
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210549
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone (CID 82480569) is (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(O)CC2)cc1C.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is LHQHXTZKMVKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-11(3-4-13(10)18-2)14(17)15-7-5-12(16)6-8-15/h3-4,9,12,16H,5-8H2,1-2H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone?
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 82480569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).