1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride

C15H25Cl2N3O2 — CID 119466852

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
SMILESCOc1ccccc1NCC(=O)N1CCCCC1CN.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-20-14-8-3-2-7-13(14)17-11-15(19)18-9-5-4-6-12(18)10-16;;/h2-3,7-8,12,17H,4-6,9-11,16H2,1H3;2*1H
InChIKeyBFGMNVKJJHXWKR-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride (PubChem CID 119466852) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
PubChem CID119466852
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
SMILESCOc1ccccc1NCC(=O)N1CCCCC1CN.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-20-14-8-3-2-7-13(14)17-11-15(19)18-9-5-4-6-12(18)10-16;;/h2-3,7-8,12,17H,4-6,9-11,16H2,1H3;2*1H
InChIKeyBFGMNVKJJHXWKR-UHFFFAOYSA-N
XLogP2.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 119630835
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one;dihydrochloride
CID 119634623
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 126795170
2-(2-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78807944
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119466190
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride (CID 119466852) is 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride is COc1ccccc1NCC(=O)N1CCCCC1CN.Cl.Cl.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride?
The InChIKey is BFGMNVKJJHXWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-20-14-8-3-2-7-13(14)17-11-15(19)18-9-5-4-6-12(18)10-16;;/h2-3,7-8,12,17H,4-6,9-11,16H2,1H3;2*1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride is sourced from PubChem (CID 119466852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).