8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline

C15H21FN2 — CID 119929966

IUPAC8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESFc1cccc2c1N(CC1CCNCC1)CCC2
InChIInChI=1S/C15H21FN2/c16-14-5-1-3-13-4-2-10-18(15(13)14)11-12-6-8-17-9-7-12/h1,3,5,12,17H,2,4,6-11H2
InChIKeyPZVFZFYSKFUHTD-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.58
Rot. Bonds2

About 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline

8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 119929966) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID119929966
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESFc1cccc2c1N(CC1CCNCC1)CCC2
InChIInChI=1S/C15H21FN2/c16-14-5-1-3-13-4-2-10-18(15(13)14)11-12-6-8-17-9-7-12/h1,3,5,12,17H,2,4,6-11H2
InChIKeyPZVFZFYSKFUHTD-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline (CID 119929966) is 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline is Fc1cccc2c1N(CC1CCNCC1)CCC2.
What is the InChIKey of 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is PZVFZFYSKFUHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-14-5-1-3-13-4-2-10-18(15(13)14)11-12-6-8-17-9-7-12/h1,3,5,12,17H,2,4,6-11H2.
What are the key properties of 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 248.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 119929966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).