1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

C18H28N2O3 — CID 2918413

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H28N2O3/c21-11-10-19-6-8-20(9-7-19)13-17(22)14-23-18-5-4-15-2-1-3-16(15)12-18/h4-5,12,17,21-22H,1-3,6-11,13-14H2
InChIKeyNMLCHPNWMKTBSH-UHFFFAOYSA-N
MW320.43 g/mol
LogP0.52
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (PubChem CID 2918413) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
PubChem CID2918413
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SMILESOCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H28N2O3/c21-11-10-19-6-8-20(9-7-19)13-17(22)14-23-18-5-4-15-2-1-3-16(15)12-18/h4-5,12,17,21-22H,1-3,6-11,13-14H2
InChIKeyNMLCHPNWMKTBSH-UHFFFAOYSA-N
XLogP0.52
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol (CID 2918413) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is OCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is NMLCHPNWMKTBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-11-10-19-6-8-20(9-7-19)13-17(22)14-23-18-5-4-15-2-1-3-16(15)12-18/h4-5,12,17,21-22H,1-3,6-11,13-14H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 320.43 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2918413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).