3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol

C16H23NO3 — CID 62469246

IUPAC3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1COc2ccccc2O1
InChIInChI=1S/C16H23NO3/c18-10-4-6-13-5-3-9-17(13)11-14-12-19-15-7-1-2-8-16(15)20-14/h1-2,7-8,13-14,18H,3-6,9-12H2
InChIKeyRQPSJRBLJIJTLV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.06
Rot. Bonds5

About 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469246) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469246
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1COc2ccccc2O1
InChIInChI=1S/C16H23NO3/c18-10-4-6-13-5-3-9-17(13)11-14-12-19-15-7-1-2-8-16(15)20-14/h1-2,7-8,13-14,18H,3-6,9-12H2
InChIKeyRQPSJRBLJIJTLV-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 79028441
2,3-dihydro-1,4-benzodioxin-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62467002
3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 66361819
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 111262661
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethylamino]ethanol
CID 123316472
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
CID 25174673
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 159117101

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol (CID 62469246) is 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC1COc2ccccc2O1.
What is the InChIKey of 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RQPSJRBLJIJTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-10-4-6-13-5-3-9-17(13)11-14-12-19-15-7-1-2-8-16(15)20-14/h1-2,7-8,13-14,18H,3-6,9-12H2.
What are the key properties of 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).