1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride

C17H24ClNO4 — CID 2911466

IUPAC1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C17H23NO4.ClH/c1-13(12-18-7-3-2-4-8-18)22-17(19)14-5-6-15-16(11-14)21-10-9-20-15;/h5-6,11,13H,2-4,7-10,12H2,1H3;1H
InChIKeyBENNTJQSTLYPFA-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.91
Rot. Bonds4

About 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride

1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride (PubChem CID 2911466) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
PubChem CID2911466
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Name1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
SMILESCC(CN1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C17H23NO4.ClH/c1-13(12-18-7-3-2-4-8-18)22-17(19)14-5-6-15-16(11-14)21-10-9-20-15;/h5-6,11,13H,2-4,7-10,12H2,1H3;1H
InChIKeyBENNTJQSTLYPFA-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-piperidin-1-ylpropan-2-yl 3,5-dimethylbenzoate
CID 71391258
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 8012432
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
3-(azepan-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496467
benzyl-[(2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyloxy)propyl]-methylazanium
CID 6965300
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 937091
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride (CID 2911466) is 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride is CC(CN1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
The InChIKey is BENNTJQSTLYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4.ClH/c1-13(12-18-7-3-2-4-8-18)22-17(19)14-5-6-15-16(11-14)21-10-9-20-15;/h5-6,11,13H,2-4,7-10,12H2,1H3;1H.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride?
1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride is sourced from PubChem (CID 2911466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).