1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

C19H30ClNO2 — CID 2918096

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COc2ccc3c(c2)CCC3)C1.Cl
InChIInChI=1S/C19H29NO2.ClH/c1-14-8-15(2)11-20(10-14)12-18(21)13-22-19-7-6-16-4-3-5-17(16)9-19;/h6-7,9,14-15,18,21H,3-5,8,10-13H2,1-2H3;1H
InChIKeyOJRQBRCHBDPCSQ-UHFFFAOYSA-N
MW339.91 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 2918096) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID2918096
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CC(C)CN(CC(O)COc2ccc3c(c2)CCC3)C1.Cl
InChIInChI=1S/C19H29NO2.ClH/c1-14-8-15(2)11-20(10-14)12-18(21)13-22-19-7-6-16-4-3-5-17(16)9-19;/h6-7,9,14-15,18,21H,3-5,8,10-13H2,1-2H3;1H
InChIKeyOJRQBRCHBDPCSQ-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 2918096) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CC(C)CN(CC(O)COc2ccc3c(c2)CCC3)C1.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is OJRQBRCHBDPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2.ClH/c1-14-8-15(2)11-20(10-14)12-18(21)13-22-19-7-6-16-4-3-5-17(16)9-19;/h6-7,9,14-15,18,21H,3-5,8,10-13H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 2918096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).