1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone

C16H23NO5 — CID 67275158

IUPAC1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone
SMILESCOc1cc(OC)c(OC2(C(C)=O)CCNCC2)c(OC)c1
InChIInChI=1S/C16H23NO5/c1-11(18)16(5-7-17-8-6-16)22-15-13(20-3)9-12(19-2)10-14(15)21-4/h9-10,17H,5-8H2,1-4H3
InChIKeyKERMMKSMCRKXJI-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.80
Rot. Bonds6

About 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone

1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone (PubChem CID 67275158) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone
PubChem CID67275158
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone
SMILESCOc1cc(OC)c(OC2(C(C)=O)CCNCC2)c(OC)c1
InChIInChI=1S/C16H23NO5/c1-11(18)16(5-7-17-8-6-16)22-15-13(20-3)9-12(19-2)10-14(15)21-4/h9-10,17H,5-8H2,1-4H3
InChIKeyKERMMKSMCRKXJI-UHFFFAOYSA-N
XLogP1.80
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4,6-trimethoxyphenyl) acetate
CID 68597137
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
(3,5-dimethoxyphenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119710205
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
CID 162354073
4-(2,4-dimethoxyphenyl)piperidine-4-carbonitrile
CID 82295249
6-azaspiro[2.5]octan-2-yl-(3,5-dimethoxyphenyl)methanone
CID 116573137
4-[(3,5-dimethoxyphenoxy)methyl]piperidin-4-ol
CID 81042741
N-(4,5-dimethoxy-2-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119679109
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
N-(2,5-difluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide
CID 119812880
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone (CID 67275158) is 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone is COc1cc(OC)c(OC2(C(C)=O)CCNCC2)c(OC)c1.
What is the InChIKey of 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone?
The InChIKey is KERMMKSMCRKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-11(18)16(5-7-17-8-6-16)22-15-13(20-3)9-12(19-2)10-14(15)21-4/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone?
1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone has a molecular weight of 309.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trimethoxyphenoxy)piperidin-4-yl]ethanone is sourced from PubChem (CID 67275158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).