2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol

C15H21NO3 — CID 82091216

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol
SMILESOCC(c1ccc2c(c1)OCCO2)N1CCCCC1
InChIInChI=1S/C15H21NO3/c17-11-13(16-6-2-1-3-7-16)12-4-5-14-15(10-12)19-9-8-18-14/h4-5,10,13,17H,1-3,6-9,11H2
InChIKeyUKGZVIIONWPCGT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol (PubChem CID 82091216) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol
PubChem CID82091216
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol
SMILESOCC(c1ccc2c(c1)OCCO2)N1CCCCC1
InChIInChI=1S/C15H21NO3/c17-11-13(16-6-2-1-3-7-16)12-4-5-14-15(10-12)19-9-8-18-14/h4-5,10,13,17H,1-3,6-9,11H2
InChIKeyUKGZVIIONWPCGT-UHFFFAOYSA-N
XLogP1.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
CID 171310993
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 16641482
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
5-(2-hydroxy-1-piperidin-1-ylethyl)-3H-1,3-benzoxazol-2-one
CID 116860145
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
(2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70826390
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 20747757

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol (CID 82091216) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol is OCC(c1ccc2c(c1)OCCO2)N1CCCCC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol?
The InChIKey is UKGZVIIONWPCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-11-13(16-6-2-1-3-7-16)12-4-5-14-15(10-12)19-9-8-18-14/h4-5,10,13,17H,1-3,6-9,11H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol has a molecular weight of 263.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 82091216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).