3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol

C13H16N2O — CID 166629733

IUPAC3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
SMILESOc1cccc2[nH]cc(CCN3CCC3)c12
InChIInChI=1S/C13H16N2O/c16-12-4-1-3-11-13(12)10(9-14-11)5-8-15-6-2-7-15/h1,3-4,9,14,16H,2,5-8H2
InChIKeyPXCVJKHVIVHNMT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol

3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol (PubChem CID 166629733) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
PubChem CID166629733
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
SMILESOc1cccc2[nH]cc(CCN3CCC3)c12
InChIInChI=1S/C13H16N2O/c16-12-4-1-3-11-13(12)10(9-14-11)5-8-15-6-2-7-15/h1,3-4,9,14,16H,2,5-8H2
InChIKeyPXCVJKHVIVHNMT-UHFFFAOYSA-N
XLogP2.12
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
CID 169286743
bis[3-(2-pyrrolidin-1-ylethyl)-1H-indol-4-yl] hydrogen phosphate
CID 170759995
3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-ol
CID 169286708
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
2-(azetidin-1-yl)ethyl [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] carbonate
CID 167476975

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol (CID 166629733) is 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol is Oc1cccc2[nH]cc(CCN3CCC3)c12.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol?
The InChIKey is PXCVJKHVIVHNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-12-4-1-3-11-13(12)10(9-14-11)5-8-15-6-2-7-15/h1,3-4,9,14,16H,2,5-8H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol?
3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol has a molecular weight of 216.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol is sourced from PubChem (CID 166629733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).