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

C24H32N2O2 — CID 44536117

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc(CN2CCN(CC(O)COc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-5-7-20(8-6-19)16-25-11-13-26(14-12-25)17-23(27)18-28-24-10-9-21-3-2-4-22(21)15-24/h5-10,15,23,27H,2-4,11-14,16-18H2,1H3
InChIKeyKWDRLGSVLOIDMT-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.04
Rot. Bonds7

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

1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 44536117) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID44536117
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1ccc(CN2CCN(CC(O)COc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C24H32N2O2/c1-19-5-7-20(8-6-19)16-25-11-13-26(14-12-25)17-23(27)18-28-24-10-9-21-3-2-4-22(21)15-24/h5-10,15,23,27H,2-4,11-14,16-18H2,1H3
InChIKeyKWDRLGSVLOIDMT-UHFFFAOYSA-N
XLogP3.04
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.04
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-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol (CID 44536117) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol is Cc1ccc(CN2CCN(CC(O)COc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is KWDRLGSVLOIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-5-7-20(8-6-19)16-25-11-13-26(14-12-25)17-23(27)18-28-24-10-9-21-3-2-4-22(21)15-24/h5-10,15,23,27H,2-4,11-14,16-18H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 380.53 g/mol, XLogP of 3.04, 7 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-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 44536117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).