3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole

C22H25FN2 — CID 10427137

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1
InChIInChI=1S/C22H25FN2/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19/h4-9,14,19H,10-13H2,1-3H3
InChIKeyJHXVZNYMJMMPEI-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.33
Rot. Bonds2

About 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole

3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole (PubChem CID 10427137) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole
PubChem CID10427137
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole
SMILESCc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1
InChIInChI=1S/C22H25FN2/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19/h4-9,14,19H,10-13H2,1-3H3
InChIKeyJHXVZNYMJMMPEI-UHFFFAOYSA-N
XLogP5.33
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole (CID 10427137) is 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole is Cc1ccc2c(c1)c(-c1ccc(F)cc1)c(C)n2C1CCN(C)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole?
The InChIKey is JHXVZNYMJMMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19/h4-9,14,19H,10-13H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole?
3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole has a molecular weight of 336.45 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpiperidin-4-yl)indole is sourced from PubChem (CID 10427137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).