(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C18H25ClN2O2 — CID 119395183

IUPAC(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12-7-15-9-17(22-16(15)8-13(12)2)18(21)20-6-4-5-14(11-20)10-19-3;/h7-9,14,19H,4-6,10-11H2,1-3H3;1H
InChIKeyJOAGTTWBZUCPBV-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.54
Rot. Bonds3

About (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119395183) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119395183
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12-7-15-9-17(22-16(15)8-13(12)2)18(21)20-6-4-5-14(11-20)10-19-3;/h7-9,14,19H,4-6,10-11H2,1-3H3;1H
InChIKeyJOAGTTWBZUCPBV-UHFFFAOYSA-N
XLogP3.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone
CID 124611196
(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119373219
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
[3-(methylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119398801
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 124594515
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119395183) is (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1.Cl.
What is the InChIKey of (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is JOAGTTWBZUCPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-12-7-15-9-17(22-16(15)8-13(12)2)18(21)20-6-4-5-14(11-20)10-19-3;/h7-9,14,19H,4-6,10-11H2,1-3H3;1H.
What are the key properties of (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119395183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).