(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone

C15H21NO3 — CID 115269834

IUPAC(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(C)(C)C(O)C1
InChIInChI=1S/C15H21NO3/c1-15(2)8-9-16(10-13(15)17)14(18)11-6-4-5-7-12(11)19-3/h4-7,13,17H,8-10H2,1-3H3
InChIKeyXEXQMGZJAXXOQT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds2

About (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone

(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 115269834) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID115269834
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(C)(C)C(O)C1
InChIInChI=1S/C15H21NO3/c1-15(2)8-9-16(10-13(15)17)14(18)11-6-4-5-7-12(11)19-3/h4-7,13,17H,8-10H2,1-3H3
InChIKeyXEXQMGZJAXXOQT-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620597
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone (CID 115269834) is (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(C)(C)C(O)C1.
What is the InChIKey of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is XEXQMGZJAXXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)8-9-16(10-13(15)17)14(18)11-6-4-5-7-12(11)19-3/h4-7,13,17H,8-10H2,1-3H3.
What are the key properties of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone?
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 115269834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).