N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C22H28FN3O — CID 45250862

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESFc1cccc(C2(CNC3CCN(Cc4ccccn4)CC3)CCOC2)c1
InChIInChI=1S/C22H28FN3O/c23-19-5-3-4-18(14-19)22(9-13-27-17-22)16-25-20-7-11-26(12-8-20)15-21-6-1-2-10-24-21/h1-6,10,14,20,25H,7-9,11-13,15-17H2
InChIKeyXQBIKJVTGGPQAJ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.13
Rot. Bonds6

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 45250862) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID45250862
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESFc1cccc(C2(CNC3CCN(Cc4ccccn4)CC3)CCOC2)c1
InChIInChI=1S/C22H28FN3O/c23-19-5-3-4-18(14-19)22(9-13-27-17-22)16-25-20-7-11-26(12-8-20)15-21-6-1-2-10-24-21/h1-6,10,14,20,25H,7-9,11-13,15-17H2
InChIKeyXQBIKJVTGGPQAJ-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-((5-Fluoropyridin-3-yl)methyl)-2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 72695064
N-(pyridin-3-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314236
N-(pyridin-2-ylmethyl)-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314457
N-benzyl-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 72712153
N-benzyl-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72713191
N-benzyl-2-[(9S)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72713193
US11124523, Example (+)-22
CID 148173955
US11124523, Example (+)-23
CID 153079202
1-(4-Fluoro-phenyl)-4-(5-fluoro-pyridin-2-yl)-4-piperazin-1-yl-butan-1-ol
CID 44298902
(1-((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)methyl)piperidin-4-yl)methanol
CID 44411041
4-((5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)methyl)morpholine
CID 44411119
(3S,6S)-6-Benzhydryl-N-(pyridin-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 52951725

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 45250862) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is Fc1cccc(C2(CNC3CCN(Cc4ccccn4)CC3)CCOC2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is XQBIKJVTGGPQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c23-19-5-3-4-18(14-19)22(9-13-27-17-22)16-25-20-7-11-26(12-8-20)15-21-6-1-2-10-24-21/h1-6,10,14,20,25H,7-9,11-13,15-17H2.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 369.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 45250862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).