(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone

C16H23NO2 — CID 110764973

IUPAC(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H23NO2/c1-11-6-5-7-17(10-11)16(18)15-13(3)8-12(2)9-14(15)19-4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyCOEMGVFWYLQOEJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.18
Rot. Bonds2

About (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone

(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110764973) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110764973
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H23NO2/c1-11-6-5-7-17(10-11)16(18)15-13(3)8-12(2)9-14(15)19-4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyCOEMGVFWYLQOEJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
5-[4-(2-methoxy-4,6-dimethylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816235
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 63765556
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812720
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
phenyl 4-(2-methoxy-4,6-dimethylbenzoyl)piperazine-1-carboxylate
CID 110803586
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 110764973) is (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone is COc1cc(C)cc(C)c1C(=O)N1CCCC(C)C1.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is COEMGVFWYLQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-5-7-17(10-11)16(18)15-13(3)8-12(2)9-14(15)19-4/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone?
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110764973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).