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

C23H27NO3 — CID 10861457

IUPAC(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)C[C@@H](N1CCC(c3cccc4c3OCCO4)CC1)[C@@H]2O
InChIInChI=1S/C23H27NO3/c1-15-5-6-18-17(13-15)14-20(22(18)25)24-9-7-16(8-10-24)19-3-2-4-21-23(19)27-12-11-26-21/h2-6,13,16,20,22,25H,7-12,14H2,1H3/t20-,22-/m1/s1
InChIKeyZASQMEFCWNRHSQ-IFMALSPDSA-N
MW365.47 g/mol
LogP3.60
Rot. Bonds2

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

(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 10861457) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID10861457
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc2c(c1)C[C@@H](N1CCC(c3cccc4c3OCCO4)CC1)[C@@H]2O
InChIInChI=1S/C23H27NO3/c1-15-5-6-18-17(13-15)14-20(22(18)25)24-9-7-16(8-10-24)19-3-2-4-21-23(19)27-12-11-26-21/h2-6,13,16,20,22,25H,7-12,14H2,1H3/t20-,22-/m1/s1
InChIKeyZASQMEFCWNRHSQ-IFMALSPDSA-N
XLogP3.60
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-6-nitro-2,3-dihydro-1H-inden-1-ol
CID 10386049
(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
(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
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
(1S,2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 101155329
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-methyl-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 15839981
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
CID 82623069
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 167940643
(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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol (CID 10861457) is (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol is Cc1ccc2c(c1)C[C@@H](N1CCC(c3cccc4c3OCCO4)CC1)[C@@H]2O.
What is the InChIKey of (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZASQMEFCWNRHSQ-IFMALSPDSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15-5-6-18-17(13-15)14-20(22(18)25)24-9-7-16(8-10-24)19-3-2-4-21-23(19)27-12-11-26-21/h2-6,13,16,20,22,25H,7-12,14H2,1H3/t20-,22-/m1/s1.
What are the key properties of (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol?
(1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 365.47 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-1-yl]-5-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 10861457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).