1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole

C15H21FN2 — CID 112564983

IUPAC1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole
SMILESCC(F)(C1CCCNC1)C1NCc2ccccc21
InChIInChI=1S/C15H21FN2/c1-15(16,12-6-4-8-17-10-12)14-13-7-3-2-5-11(13)9-18-14/h2-3,5,7,12,14,17-18H,4,6,8-10H2,1H3
InChIKeyPKXDNJDPHMEETL-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.56
Rot. Bonds2

About 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole

1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole (PubChem CID 112564983) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole
PubChem CID112564983
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole
SMILESCC(F)(C1CCCNC1)C1NCc2ccccc21
InChIInChI=1S/C15H21FN2/c1-15(16,12-6-4-8-17-10-12)14-13-7-3-2-5-11(13)9-18-14/h2-3,5,7,12,14,17-18H,4,6,8-10H2,1H3
InChIKeyPKXDNJDPHMEETL-UHFFFAOYSA-N
XLogP2.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
2-(1-fluoro-1-piperidin-3-ylethyl)piperidine
CID 112565009
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611187
3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
CID 65041986
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol
CID 114228337
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole (CID 112564983) is 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole is CC(F)(C1CCCNC1)C1NCc2ccccc21.
What is the InChIKey of 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is PKXDNJDPHMEETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-15(16,12-6-4-8-17-10-12)14-13-7-3-2-5-11(13)9-18-14/h2-3,5,7,12,14,17-18H,4,6,8-10H2,1H3.
What are the key properties of 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole?
1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 248.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-1-piperidin-3-ylethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 112564983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).