1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride

C17H22ClNO3 — CID 6603159

IUPAC1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-13(12-18-9-5-2-6-10-18)20-17(19)16-11-14-7-3-4-8-15(14)21-16;/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3;1H
InChIKeyQXEONWKYHFPEFR-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.89
Rot. Bonds4

About 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride

1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride (PubChem CID 6603159) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride
PubChem CID6603159
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-13(12-18-9-5-2-6-10-18)20-17(19)16-11-14-7-3-4-8-15(14)21-16;/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3;1H
InChIKeyQXEONWKYHFPEFR-UHFFFAOYSA-N
XLogP3.89
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzofuran-2-yl)-6-morpholino-4H-pyran-4-one
CID 16204045
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 4537700
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506284
(2,6-Dimethylmorpholino)(3-methylbenzofuran-2-yl)methanone
CID 2970615
4-(Dimethylamino)butan-2-yl 5-(1-phenylethyl)furan-2-carboxylate hydrochloride
CID 6603020
3-Morpholin-4-ylmethyl-benzofuran-2-carboxylic acid ethyl ester
CID 6603178
Benzofuran-2-carboxylic acid 3-dimethylamino-propyl ester
CID 2913774
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 2999450
Ethyl 1-[2-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 4019132
[1-(4-Methylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 4786229
3-Methyl-benzofuran-2-carboxylic acid 3-dimethylamino-1-methyl-propyl ester
CID 6602579

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride (CID 6603159) is 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride is CC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride?
The InChIKey is QXEONWKYHFPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-13(12-18-9-5-2-6-10-18)20-17(19)16-11-14-7-3-4-8-15(14)21-16;/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 1-benzofuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 6603159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).