(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C15H21NO3 — CID 107470864

IUPAC(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2ccc(O)c(C)c2)C1
InChIInChI=1S/C15H21NO3/c1-11-9-12(5-6-13(11)17)14(18)16-8-4-7-15(2,10-16)19-3/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyGCSSMFUZMQKJEG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds2

About (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107470864) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107470864
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2ccc(O)c(C)c2)C1
InChIInChI=1S/C15H21NO3/c1-11-9-12(5-6-13(11)17)14(18)16-8-4-7-15(2,10-16)19-3/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyGCSSMFUZMQKJEG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
(4-amino-3-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394866
(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392968
(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107470864) is (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2ccc(O)c(C)c2)C1.
What is the InChIKey of (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is GCSSMFUZMQKJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-9-12(5-6-13(11)17)14(18)16-8-4-7-15(2,10-16)19-3/h5-6,9,17H,4,7-8,10H2,1-3H3.
What are the key properties of (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107470864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).