1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol

C15H23N3O — CID 117201498

IUPAC1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol
SMILESCCN1c2ccc(O)cc2CC1CN1CCNCC1
InChIInChI=1S/C15H23N3O/c1-2-18-13(11-17-7-5-16-6-8-17)9-12-10-14(19)3-4-15(12)18/h3-4,10,13,16,19H,2,5-9,11H2,1H3
InChIKeyDGTBZDIZRYCRAI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.05
Rot. Bonds3

About 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol

1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol (PubChem CID 117201498) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol.

Molecular Properties

Compound Name1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol
PubChem CID117201498
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol
SMILESCCN1c2ccc(O)cc2CC1CN1CCNCC1
InChIInChI=1S/C15H23N3O/c1-2-18-13(11-17-7-5-16-6-8-17)9-12-10-14(19)3-4-15(12)18/h3-4,10,13,16,19H,2,5-9,11H2,1H3
InChIKeyDGTBZDIZRYCRAI-UHFFFAOYSA-N
XLogP1.05
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol?
The IUPAC name of 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol (CID 117201498) is 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol.
What is the SMILES notation for 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol?
The canonical SMILES for 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol is CCN1c2ccc(O)cc2CC1CN1CCNCC1.
What is the InChIKey of 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol?
The InChIKey is DGTBZDIZRYCRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-18-13(11-17-7-5-16-6-8-17)9-12-10-14(19)3-4-15(12)18/h3-4,10,13,16,19H,2,5-9,11H2,1H3.
What are the key properties of 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol?
1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol has a molecular weight of 261.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(piperazin-1-ylmethyl)-2,3-dihydroindol-5-ol is sourced from PubChem (CID 117201498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).