1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride

C21H23ClNO3- — CID 21228902

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
SMILESO=C(c1ccc2c(c1)OCCO2)C(c1ccccc1)N1CCCCC1.[Cl-]
InChIInChI=1S/C21H23NO3.ClH/c23-21(17-9-10-18-19(15-17)25-14-13-24-18)20(16-7-3-1-4-8-16)22-11-5-2-6-12-22;/h1,3-4,7-10,15,20H,2,5-6,11-14H2;1H/p-1
InChIKeyBTFUDGCGHJAXGG-UHFFFAOYSA-M
MW372.87 g/mol
LogP0.87
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride (PubChem CID 21228902) has the molecular formula C21H23ClNO3- and a molecular weight of 372.87 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
PubChem CID21228902
Molecular FormulaC21H23ClNO3-
Molecular Weight372.87 g/mol
Exact Mass372.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
SMILESO=C(c1ccc2c(c1)OCCO2)C(c1ccccc1)N1CCCCC1.[Cl-]
InChIInChI=1S/C21H23NO3.ClH/c23-21(17-9-10-18-19(15-17)25-14-13-24-18)20(16-7-3-1-4-8-16)22-11-5-2-6-12-22;/h1,3-4,7-10,15,20H,2,5-6,11-14H2;1H/p-1
InChIKeyBTFUDGCGHJAXGG-UHFFFAOYSA-M
XLogP0.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-phenylethanone;hydrochloride
CID 18530910
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110827798
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone
CID 162419646
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 151096244
2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
CID 82485168
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
1-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylethanone
CID 21408356
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-one
CID 116552522

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride (CID 21228902) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride is O=C(c1ccc2c(c1)OCCO2)C(c1ccccc1)N1CCCCC1.[Cl-].
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride?
The InChIKey is BTFUDGCGHJAXGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23NO3.ClH/c23-21(17-9-10-18-19(15-17)25-14-13-24-18)20(16-7-3-1-4-8-16)22-11-5-2-6-12-22;/h1,3-4,7-10,15,20H,2,5-6,11-14H2;1H/p-1.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride has a molecular weight of 372.87 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride is sourced from PubChem (CID 21228902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).