1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol

C18H28N2O2 — CID 3730418

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H28N2O2/c1-2-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3
InChIKeyHAQQYUNWWDOEDO-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.55
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol (PubChem CID 3730418) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
PubChem CID3730418
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol
SMILESCCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H28N2O2/c1-2-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3
InChIKeyHAQQYUNWWDOEDO-UHFFFAOYSA-N
XLogP1.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol (CID 3730418) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol is CCN1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
The InChIKey is HAQQYUNWWDOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,21H,2-5,8-11,13-14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3730418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).