5-fluoro-1-piperidin-4-yl-2,3-dihydroindole

C13H17FN2 — CID 67417842

IUPAC5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
SMILESFc1ccc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C13H17FN2/c14-11-1-2-13-10(9-11)5-8-16(13)12-3-6-15-7-4-12/h1-2,9,12,15H,3-8H2
InChIKeyNCTCTTHDGPNVIA-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.94
Rot. Bonds1

About 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole

5-fluoro-1-piperidin-4-yl-2,3-dihydroindole (PubChem CID 67417842) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole.

Molecular Properties

Compound Name5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
PubChem CID67417842
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
SMILESFc1ccc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C13H17FN2/c14-11-1-2-13-10(9-11)5-8-16(13)12-3-6-15-7-4-12/h1-2,9,12,15H,3-8H2
InChIKeyNCTCTTHDGPNVIA-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole?
The IUPAC name of 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole (CID 67417842) is 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole.
What is the SMILES notation for 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole?
The canonical SMILES for 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole is Fc1ccc2c(c1)CCN2C1CCNCC1.
What is the InChIKey of 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole?
The InChIKey is NCTCTTHDGPNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-11-1-2-13-10(9-11)5-8-16(13)12-3-6-15-7-4-12/h1-2,9,12,15H,3-8H2.
What are the key properties of 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole?
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole has a molecular weight of 220.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-piperidin-4-yl-2,3-dihydroindole is sourced from PubChem (CID 67417842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).