(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole

C22H27FN2 — CID 22818645

IUPAC(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
SMILESC[C@H]1Nc2ccc(F)cc2[C@H]1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H27FN2/c1-16-20(21-15-19(23)7-8-22(21)24-16)11-14-25-12-9-18(10-13-25)17-5-3-2-4-6-17/h2-8,15-16,18,20,24H,9-14H2,1H3/t16-,20+/m1/s1
InChIKeyZWQLSNUBOSYAJS-UZLBHIALSA-N
MW338.47 g/mol
LogP4.99
Rot. Bonds4

About (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole

(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole (PubChem CID 22818645) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
PubChem CID22818645
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
SMILESC[C@H]1Nc2ccc(F)cc2[C@H]1CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H27FN2/c1-16-20(21-15-19(23)7-8-22(21)24-16)11-14-25-12-9-18(10-13-25)17-5-3-2-4-6-17/h2-8,15-16,18,20,24H,9-14H2,1H3/t16-,20+/m1/s1
InChIKeyZWQLSNUBOSYAJS-UZLBHIALSA-N
XLogP4.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The IUPAC name of (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole (CID 22818645) is (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole is C[C@H]1Nc2ccc(F)cc2[C@H]1CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
The InChIKey is ZWQLSNUBOSYAJS-UZLBHIALSA-N. The full InChI is InChI=1S/C22H27FN2/c1-16-20(21-15-19(23)7-8-22(21)24-16)11-14-25-12-9-18(10-13-25)17-5-3-2-4-6-17/h2-8,15-16,18,20,24H,9-14H2,1H3/t16-,20+/m1/s1.
What are the key properties of (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole?
(2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole has a molecular weight of 338.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-fluoro-2-methyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 22818645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).