(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol

C22H26N2O3 — CID 70105865

IUPAC(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@H]1NC1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C22H26N2O3/c25-21-17-5-2-1-4-15(17)14-18(21)23-16-8-10-24(11-9-16)19-6-3-7-20-22(19)27-13-12-26-20/h1-7,16,18,21,23,25H,8-14H2/t18-,21+/m1/s1
InChIKeyOXARMVQQPRHXEI-NQIIRXRSSA-N
MW366.46 g/mol
LogP2.67
Rot. Bonds3

About (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 70105865) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol
PubChem CID70105865
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@H]1NC1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C22H26N2O3/c25-21-17-5-2-1-4-15(17)14-18(21)23-16-8-10-24(11-9-16)19-6-3-7-20-22(19)27-13-12-26-20/h1-7,16,18,21,23,25H,8-14H2/t18-,21+/m1/s1
InChIKeyOXARMVQQPRHXEI-NQIIRXRSSA-N
XLogP2.67
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl)piperidin-4-amine
CID 15839978
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877
(1R,2S)-2-[[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 54104145
(1S,2R)-2-[[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 70104206
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 15839981
(1S,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 10948660
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propan-1-one
CID 10429748
(1R,2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol
CID 15860119
4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,1-dihydroxy-1,4-thiazinane
CID 174913050
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol (CID 70105865) is (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol is O[C@H]1c2ccccc2C[C@H]1NC1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OXARMVQQPRHXEI-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21-17-5-2-1-4-15(17)14-18(21)23-16-8-10-24(11-9-16)19-6-3-7-20-22(19)27-13-12-26-20/h1-7,16,18,21,23,25H,8-14H2/t18-,21+/m1/s1.
What are the key properties of (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 366.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 70105865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).