2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride

C17H27ClN2O3 — CID 119545416

IUPAC2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)Cc2c(OC)cccc2OC)CC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-18-12-13-7-9-19(10-8-13)17(20)11-14-15(21-2)5-4-6-16(14)22-3;/h4-6,13,18H,7-12H2,1-3H3;1H
InChIKeyXLQJZGUARSRCJG-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.13
Rot. Bonds6

About 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride

2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119545416) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119545416
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)Cc2c(OC)cccc2OC)CC1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-18-12-13-7-9-19(10-8-13)17(20)11-14-15(21-2)5-4-6-16(14)22-3;/h4-6,13,18H,7-12H2,1-3H3;1H
InChIKeyXLQJZGUARSRCJG-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124613050
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
3-cyclopentyl-1-[4-[2-(2,6-dimethoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 136514101
2-(2,6-dichlorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119542039
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
3-(2-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119539238
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119541516
1-[4-(methylaminomethyl)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119545847

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride (CID 119545416) is 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride is CNCC1CCN(C(=O)Cc2c(OC)cccc2OC)CC1.Cl.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is XLQJZGUARSRCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-18-12-13-7-9-19(10-8-13)17(20)11-14-15(21-2)5-4-6-16(14)22-3;/h4-6,13,18H,7-12H2,1-3H3;1H.
What are the key properties of 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride?
2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119545416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).