4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile

C22H26FN3O — CID 172820426

IUPAC4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile
SMILESCC(C)(C)N1CCC(c2ccc(F)c(OCc3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C22H26FN3O/c1-22(2,3)26-12-10-18(11-13-26)20-9-8-19(23)21(25-20)27-15-17-6-4-16(14-24)5-7-17/h4-9,18H,10-13,15H2,1-3H3
InChIKeyUDPSGXWRBBMZBE-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.65
Rot. Bonds4

About 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile

4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile (PubChem CID 172820426) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile
PubChem CID172820426
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile
SMILESCC(C)(C)N1CCC(c2ccc(F)c(OCc3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C22H26FN3O/c1-22(2,3)26-12-10-18(11-13-26)20-9-8-19(23)21(25-20)27-15-17-6-4-16(14-24)5-7-17/h4-9,18H,10-13,15H2,1-3H3
InChIKeyUDPSGXWRBBMZBE-UHFFFAOYSA-N
XLogP4.65
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 134611206
3-fluoro-4-[[3-fluoro-6-[1-(2-methylprop-2-enyl)piperidin-4-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 177190252
4-[[6-[1-[[6-acetyl-4-fluoro-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-3-fluoro-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 164972430
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
2-[(4-chlorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
CID 65126494
2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873398
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[[6-[1-[[5-amino-4-[(Z)-2-amino-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]ethenyl]-1-(oxetan-2-ylmethyl)imidazol-2-yl]methyl]piperidin-4-yl]-3-fluoro-2-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 167011248
4-[[4-(2,2-dimethylpropanoyl)-2-fluorophenoxy]methyl]benzonitrile
CID 155087139
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 59255294
4-[[2-methyl-4-(3-pyridin-4-ylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzonitrile
CID 22641484
4-(3-amino-1-tert-butylpiperidin-4-yl)benzonitrile
CID 129188123

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile (CID 172820426) is 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile is CC(C)(C)N1CCC(c2ccc(F)c(OCc3ccc(C#N)cc3)n2)CC1.
What is the InChIKey of 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is UDPSGXWRBBMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-22(2,3)26-12-10-18(11-13-26)20-9-8-19(23)21(25-20)27-15-17-6-4-16(14-24)5-7-17/h4-9,18H,10-13,15H2,1-3H3.
What are the key properties of 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile?
4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 367.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 172820426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).