N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C21H32FN3 — CID 84589490

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESFc1ccccc1CN1CCC(CNC2CCN3CCCC3C2)CC1
InChIInChI=1S/C21H32FN3/c22-21-6-2-1-4-18(21)16-24-11-7-17(8-12-24)15-23-19-9-13-25-10-3-5-20(25)14-19/h1-2,4,6,17,19-20,23H,3,5,7-16H2
InChIKeyAZVIYRVPZGGFPZ-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.25
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 84589490) has the molecular formula C21H32FN3 and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID84589490
Molecular FormulaC21H32FN3
Molecular Weight345.51 g/mol
Exact Mass345.26
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESFc1ccccc1CN1CCC(CNC2CCN3CCCC3C2)CC1
InChIInChI=1S/C21H32FN3/c22-21-6-2-1-4-18(21)16-24-11-7-17(8-12-24)15-23-19-9-13-25-10-3-5-20(25)14-19/h1-2,4,6,17,19-20,23H,3,5,7-16H2
InChIKeyAZVIYRVPZGGFPZ-UHFFFAOYSA-N
XLogP3.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 84589490) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Fc1ccccc1CN1CCC(CNC2CCN3CCCC3C2)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is AZVIYRVPZGGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3/c22-21-6-2-1-4-18(21)16-24-11-7-17(8-12-24)15-23-19-9-13-25-10-3-5-20(25)14-19/h1-2,4,6,17,19-20,23H,3,5,7-16H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 345.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 84589490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).