3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol

C13H19N3O — CID 117200389

IUPAC3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
SMILESOc1cccc2c1C(CN1CCNCC1)CN2
InChIInChI=1S/C13H19N3O/c17-12-3-1-2-11-13(12)10(8-15-11)9-16-6-4-14-5-7-16/h1-3,10,14-15,17H,4-9H2
InChIKeyWBUJTLIYGHORJG-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.81
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol

3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol (PubChem CID 117200389) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
PubChem CID117200389
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
SMILESOc1cccc2c1C(CN1CCNCC1)CN2
InChIInChI=1S/C13H19N3O/c17-12-3-1-2-11-13(12)10(8-15-11)9-16-6-4-14-5-7-16/h1-3,10,14-15,17H,4-9H2
InChIKeyWBUJTLIYGHORJG-UHFFFAOYSA-N
XLogP0.81
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol?
The IUPAC name of 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol (CID 117200389) is 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol is Oc1cccc2c1C(CN1CCNCC1)CN2.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol?
The InChIKey is WBUJTLIYGHORJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-12-3-1-2-11-13(12)10(8-15-11)9-16-6-4-14-5-7-16/h1-3,10,14-15,17H,4-9H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol?
3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol has a molecular weight of 233.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol is sourced from PubChem (CID 117200389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).