6-fluoro-2-piperidin-1-yl-1H-isoquinoline

C14H17FN2 — CID 173184732

IUPAC6-fluoro-2-piperidin-1-yl-1H-isoquinoline
SMILESFc1ccc2c(c1)C=CN(N1CCCCC1)C2
InChIInChI=1S/C14H17FN2/c15-14-5-4-13-11-17(9-6-12(13)10-14)16-7-2-1-3-8-16/h4-6,9-10H,1-3,7-8,11H2
InChIKeyICKNSPSVDFNKAC-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.01
Rot. Bonds1

About 6-fluoro-2-piperidin-1-yl-1H-isoquinoline

6-fluoro-2-piperidin-1-yl-1H-isoquinoline (PubChem CID 173184732) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 6-fluoro-2-piperidin-1-yl-1H-isoquinoline.

Molecular Properties

Compound Name6-fluoro-2-piperidin-1-yl-1H-isoquinoline
PubChem CID173184732
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name6-fluoro-2-piperidin-1-yl-1H-isoquinoline
SMILESFc1ccc2c(c1)C=CN(N1CCCCC1)C2
InChIInChI=1S/C14H17FN2/c15-14-5-4-13-11-17(9-6-12(13)10-14)16-7-2-1-3-8-16/h4-6,9-10H,1-3,7-8,11H2
InChIKeyICKNSPSVDFNKAC-UHFFFAOYSA-N
XLogP3.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-methyl-1H-isoquinoline
CID 118025213
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
1-(2,5-difluorophenyl)piperidine
CID 22638080
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
1-(2,4-difluorophenyl)-2-methyldiazinane
CID 59602841
CID 158124284
CID 158124284
1-(2,5-difluorophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 82119806
(1R,2R)-6-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 90077861
1-(2,4-difluorophenyl)-2-methylpyrazolidine
CID 59602822
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
N'-(2,5-difluorophenyl)pyrrolidine-1-carboximidamide
CID 19599263
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169081

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-piperidin-1-yl-1H-isoquinoline?
The IUPAC name of 6-fluoro-2-piperidin-1-yl-1H-isoquinoline (CID 173184732) is 6-fluoro-2-piperidin-1-yl-1H-isoquinoline.
What is the SMILES notation for 6-fluoro-2-piperidin-1-yl-1H-isoquinoline?
The canonical SMILES for 6-fluoro-2-piperidin-1-yl-1H-isoquinoline is Fc1ccc2c(c1)C=CN(N1CCCCC1)C2.
What is the InChIKey of 6-fluoro-2-piperidin-1-yl-1H-isoquinoline?
The InChIKey is ICKNSPSVDFNKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-14-5-4-13-11-17(9-6-12(13)10-14)16-7-2-1-3-8-16/h4-6,9-10H,1-3,7-8,11H2.
What are the key properties of 6-fluoro-2-piperidin-1-yl-1H-isoquinoline?
6-fluoro-2-piperidin-1-yl-1H-isoquinoline has a molecular weight of 232.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-piperidin-1-yl-1H-isoquinoline is sourced from PubChem (CID 173184732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).