1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C15H18N2 — CID 75366172

IUPAC1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C15H18N2/c1-2-17-11-14(12-7-9-16-10-8-12)13-5-3-4-6-15(13)17/h3-7,11,16H,2,8-10H2,1H3
InChIKeyDRBUKXJMXVWUCC-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.04
Rot. Bonds2

About 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 75366172) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID75366172
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C15H18N2/c1-2-17-11-14(12-7-9-16-10-8-12)13-5-3-4-6-15(13)17/h3-7,11,16H,2,8-10H2,1H3
InChIKeyDRBUKXJMXVWUCC-UHFFFAOYSA-N
XLogP3.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 75366172) is 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is CCn1cc(C2=CCNCC2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is DRBUKXJMXVWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-17-11-14(12-7-9-16-10-8-12)13-5-3-4-6-15(13)17/h3-7,11,16H,2,8-10H2,1H3.
What are the key properties of 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 226.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 75366172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).