3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline

C19H24FN3O — CID 136537189

IUPAC3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(CN2CCC(Oc3ncccc3F)CC2)c1
InChIInChI=1S/C19H24FN3O/c1-22(2)16-6-3-5-15(13-16)14-23-11-8-17(9-12-23)24-19-18(20)7-4-10-21-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3
InChIKeyWXHFTDPIHDAYLM-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.33
Rot. Bonds5

About 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline

3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 136537189) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID136537189
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(CN2CCC(Oc3ncccc3F)CC2)c1
InChIInChI=1S/C19H24FN3O/c1-22(2)16-6-3-5-15(13-16)14-23-11-8-17(9-12-23)24-19-18(20)7-4-10-21-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3
InChIKeyWXHFTDPIHDAYLM-UHFFFAOYSA-N
XLogP3.33
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline (CID 136537189) is 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline is CN(C)c1cccc(CN2CCC(Oc3ncccc3F)CC2)c1.
What is the InChIKey of 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is WXHFTDPIHDAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-22(2)16-6-3-5-15(13-16)14-23-11-8-17(9-12-23)24-19-18(20)7-4-10-21-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3.
What are the key properties of 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline?
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 329.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 136537189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).