1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol

C16H20N2O — CID 83197731

IUPAC1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-12(19)10-18-11-15(13-6-8-17-9-7-13)14-4-2-3-5-16(14)18/h2-6,11-12,17,19H,7-10H2,1H3
InChIKeyQPEUSIOXQWOUDO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.40
Rot. Bonds3

About 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol

1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol (PubChem CID 83197731) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol
PubChem CID83197731
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol
SMILESCC(O)Cn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-12(19)10-18-11-15(13-6-8-17-9-7-13)14-4-2-3-5-16(14)18/h2-6,11-12,17,19H,7-10H2,1H3
InChIKeyQPEUSIOXQWOUDO-UHFFFAOYSA-N
XLogP2.40
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol (CID 83197731) is 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol is CC(O)Cn1cc(C2=CCNCC2)c2ccccc21.
What is the InChIKey of 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol?
The InChIKey is QPEUSIOXQWOUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(19)10-18-11-15(13-6-8-17-9-7-13)14-4-2-3-5-16(14)18/h2-6,11-12,17,19H,7-10H2,1H3.
What are the key properties of 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol?
1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 83197731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).