(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C14H19NO3 — CID 107392960

IUPAC(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H19NO3/c1-14(18-2)8-3-9-15(10-14)13(17)11-4-6-12(16)7-5-11/h4-7,16H,3,8-10H2,1-2H3
InChIKeyAONVOMAEHHLUSA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds2

About (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107392960) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107392960
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H19NO3/c1-14(18-2)8-3-9-15(10-14)13(17)11-4-6-12(16)7-5-11/h4-7,16H,3,8-10H2,1-2H3
InChIKeyAONVOMAEHHLUSA-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 124679751
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317
(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-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
(3-aminothiophen-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390298

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107392960) is (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2ccc(O)cc2)C1.
What is the InChIKey of (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is AONVOMAEHHLUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(18-2)8-3-9-15(10-14)13(17)11-4-6-12(16)7-5-11/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107392960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).