1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol

C22H29N3O — CID 20866295

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCc1cccc(N2CCN(CC(O)c3ccc4c(c3)CCN4)CC2)c1C
InChIInChI=1S/C22H29N3O/c1-16-4-3-5-21(17(16)2)25-12-10-24(11-13-25)15-22(26)19-6-7-20-18(14-19)8-9-23-20/h3-7,14,22-23,26H,8-13,15H2,1-2H3
InChIKeyNQLXBKPUYIWSKM-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.13
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol

1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol (PubChem CID 20866295) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
PubChem CID20866295
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCc1cccc(N2CCN(CC(O)c3ccc4c(c3)CCN4)CC2)c1C
InChIInChI=1S/C22H29N3O/c1-16-4-3-5-21(17(16)2)25-12-10-24(11-13-25)15-22(26)19-6-7-20-18(14-19)8-9-23-20/h3-7,14,22-23,26H,8-13,15H2,1-2H3
InChIKeyNQLXBKPUYIWSKM-UHFFFAOYSA-N
XLogP3.13
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol (CID 20866295) is 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol is Cc1cccc(N2CCN(CC(O)c3ccc4c(c3)CCN4)CC2)c1C.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
The InChIKey is NQLXBKPUYIWSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-4-3-5-21(17(16)2)25-12-10-24(11-13-25)15-22(26)19-6-7-20-18(14-19)8-9-23-20/h3-7,14,22-23,26H,8-13,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol has a molecular weight of 351.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 20866295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).