6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C14H19FN2 — CID 175999345

IUPAC6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC1CCN(c2ccc3c(c2)CCNC3)CC1
InChIInChI=1S/C14H19FN2/c15-13-4-7-17(8-5-13)14-2-1-12-10-16-6-3-11(12)9-14/h1-2,9,13,16H,3-8,10H2
InChIKeyYWPXYBGCOCNPPR-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.27
Rot. Bonds1

About 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 175999345) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID175999345
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC1CCN(c2ccc3c(c2)CCNC3)CC1
InChIInChI=1S/C14H19FN2/c15-13-4-7-17(8-5-13)14-2-1-12-10-16-6-3-11(12)9-14/h1-2,9,13,16H,3-8,10H2
InChIKeyYWPXYBGCOCNPPR-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 175999345) is 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is FC1CCN(c2ccc3c(c2)CCNC3)CC1.
What is the InChIKey of 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YWPXYBGCOCNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-13-4-7-17(8-5-13)14-2-1-12-10-16-6-3-11(12)9-14/h1-2,9,13,16H,3-8,10H2.
What are the key properties of 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 234.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 175999345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).