1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride

C19H27ClN2O2 — CID 119519445

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
SMILESCc1ccc2c(CC(=O)N3CCC(C(C)N)CC3)coc2c1C.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-12-4-5-17-16(11-23-19(17)13(12)2)10-18(22)21-8-6-15(7-9-21)14(3)20;/h4-5,11,14-15H,6-10,20H2,1-3H3;1H
InChIKeyKYEKUVWUBWFREX-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride (PubChem CID 119519445) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
PubChem CID119519445
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
SMILESCc1ccc2c(CC(=O)N3CCC(C(C)N)CC3)coc2c1C.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-12-4-5-17-16(11-23-19(17)13(12)2)10-18(22)21-8-6-15(7-9-21)14(3)20;/h4-5,11,14-15H,6-10,20H2,1-3H3;1H
InChIKeyKYEKUVWUBWFREX-UHFFFAOYSA-N
XLogP3.60
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119646903
1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 27258718
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 124611754
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 23804650
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119518463
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90493236
1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 45433563
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56793979
1-[4-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 110092810
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119583813

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride (CID 119519445) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride is Cc1ccc2c(CC(=O)N3CCC(C(C)N)CC3)coc2c1C.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride?
The InChIKey is KYEKUVWUBWFREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c1-12-4-5-17-16(11-23-19(17)13(12)2)10-18(22)21-8-6-15(7-9-21)14(3)20;/h4-5,11,14-15H,6-10,20H2,1-3H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 119519445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).