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

C15H21NO3 — CID 107392968

IUPAC(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C15H21NO3/c1-11-6-4-7-12(13(11)17)14(18)16-9-5-8-15(2,10-16)19-3/h4,6-7,17H,5,8-10H2,1-3H3
InChIKeyDQOXKIIOXFXJII-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds2

About (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107392968) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107392968
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C15H21NO3/c1-11-6-4-7-12(13(11)17)14(18)16-9-5-8-15(2,10-16)19-3/h4,6-7,17H,5,8-10H2,1-3H3
InChIKeyDQOXKIIOXFXJII-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

(3-methoxy-3-methylpiperidin-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107396054
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 107392798
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
2-(3-methoxy-3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 107392530
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(3-chloro-2-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392248
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392487
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446
(3-methoxy-3-methylpiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 107394862
(5-amino-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394146

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107392968) is (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2cccc(C)c2O)C1.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is DQOXKIIOXFXJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-6-4-7-12(13(11)17)14(18)16-9-5-8-15(2,10-16)19-3/h4,6-7,17H,5,8-10H2,1-3H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(2-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 (2-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107392968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).