1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C21H21FN2 — CID 53212734

IUPAC1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1c(C2=CCNCC2)c2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C21H21FN2/c1-15-21(17-9-11-23-12-10-17)19-7-2-3-8-20(19)24(15)14-16-5-4-6-18(22)13-16/h2-9,13,23H,10-12,14H2,1H3
InChIKeyFTZUQDIFGZEFGR-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.51
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 53212734) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID53212734
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1c(C2=CCNCC2)c2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C21H21FN2/c1-15-21(17-9-11-23-12-10-17)19-7-2-3-8-20(19)24(15)14-16-5-4-6-18(22)13-16/h2-9,13,23H,10-12,14H2,1H3
InChIKeyFTZUQDIFGZEFGR-UHFFFAOYSA-N
XLogP4.51
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 53212734) is 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is Cc1c(C2=CCNCC2)c2ccccc2n1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is FTZUQDIFGZEFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-15-21(17-9-11-23-12-10-17)19-7-2-3-8-20(19)24(15)14-16-5-4-6-18(22)13-16/h2-9,13,23H,10-12,14H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 320.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 53212734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).