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

C17H26N2O2 — CID 3051475

IUPAC1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2cccc3c2CCC3)CC1
InChIInChI=1S/C17H26N2O2/c1-18-8-10-19(11-9-18)12-15(20)13-21-17-7-3-5-14-4-2-6-16(14)17/h3,5,7,15,20H,2,4,6,8-13H2,1H3
InChIKeyJUDYBHRCGQMANA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.16
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 3051475) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID3051475
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2cccc3c2CCC3)CC1
InChIInChI=1S/C17H26N2O2/c1-18-8-10-19(11-9-18)12-15(20)13-21-17-7-3-5-14-4-2-6-16(14)17/h3,5,7,15,20H,2,4,6,8-13H2,1H3
InChIKeyJUDYBHRCGQMANA-UHFFFAOYSA-N
XLogP1.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.16
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-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 3051475) is 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)COc2cccc3c2CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is JUDYBHRCGQMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-8-10-19(11-9-18)12-15(20)13-21-17-7-3-5-14-4-2-6-16(14)17/h3,5,7,15,20H,2,4,6,8-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-(2,3-dihydro-1H-inden-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 1.16, 5 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-4-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3051475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).