1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride

C15H23ClN2O3 — CID 119380108

IUPAC1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
SMILESCOc1cccc(OC)c1CC(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-6-3-7-14(20-2)12(13)9-15(18)17-8-4-5-11(16)10-17;/h3,6-7,11H,4-5,8-10,16H2,1-2H3;1H
InChIKeyZFOJSBLCIZFICD-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.62
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride

1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride (PubChem CID 119380108) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
PubChem CID119380108
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
SMILESCOc1cccc(OC)c1CC(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-6-3-7-14(20-2)12(13)9-15(18)17-8-4-5-11(16)10-17;/h3,6-7,11H,4-5,8-10,16H2,1-2H3;1H
InChIKeyZFOJSBLCIZFICD-UHFFFAOYSA-N
XLogP1.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
2-(2,6-dimethoxyphenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124613050
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-(3-aminopiperidin-1-yl)-2-(3-bromo-4-methoxyphenyl)ethanone;hydrochloride
CID 176516116
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119545416
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride (CID 119380108) is 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride is COc1cccc(OC)c1CC(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride?
The InChIKey is ZFOJSBLCIZFICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-13-6-3-7-14(20-2)12(13)9-15(18)17-8-4-5-11(16)10-17;/h3,6-7,11H,4-5,8-10,16H2,1-2H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119380108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).