1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride

C18H26ClNO2 — CID 70496178

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride
SMILESCCC(CN1CCCCC1)C(=O)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-2-14(13-19-9-4-3-5-10-19)18(20)16-6-7-17-15(12-16)8-11-21-17;/h6-7,12,14H,2-5,8-11,13H2,1H3;1H
InChIKeyQXEZAYYRJIQWGQ-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride (PubChem CID 70496178) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride
PubChem CID70496178
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride
SMILESCCC(CN1CCCCC1)C(=O)c1ccc2c(c1)CCO2.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-2-14(13-19-9-4-3-5-10-19)18(20)16-6-7-17-15(12-16)8-11-21-17;/h6-7,12,14H,2-5,8-11,13H2,1H3;1H
InChIKeyQXEZAYYRJIQWGQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496467
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-3-piperidin-1-ylpropan-1-one;nitric acid
CID 70494874
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-piperidin-1-ylbutan-1-one
CID 70494204
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 104542313
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride (CID 70496178) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride is CCC(CN1CCCCC1)C(=O)c1ccc2c(c1)CCO2.Cl.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride?
The InChIKey is QXEZAYYRJIQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c1-2-14(13-19-9-4-3-5-10-19)18(20)16-6-7-17-15(12-16)8-11-21-17;/h6-7,12,14H,2-5,8-11,13H2,1H3;1H.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride is sourced from PubChem (CID 70496178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).