tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate

C23H26FN3O3 — CID 134611206

IUPACtert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)c(OCc3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C23H26FN3O3/c1-23(2,3)30-22(28)27-12-10-18(11-13-27)20-9-8-19(24)21(26-20)29-15-17-6-4-16(14-25)5-7-17/h4-9,18H,10-13,15H2,1-3H3
InChIKeyIZEUZQGSNCGIJD-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 134611206) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate
PubChem CID134611206
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Nametert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)c(OCc3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C23H26FN3O3/c1-23(2,3)30-22(28)27-12-10-18(11-13-27)20-9-8-19(24)21(26-20)29-15-17-6-4-16(14-25)5-7-17/h4-9,18H,10-13,15H2,1-3H3
InChIKeyIZEUZQGSNCGIJD-UHFFFAOYSA-N
XLogP4.79
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(1-tert-butylpiperidin-4-yl)-3-fluoro-2-pyridinyl]oxymethyl]benzonitrile
CID 172820426
tert-butyl 4-[6-(6-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-pyridinyl]piperidine-1-carboxylate
CID 168743375
tert-butyl 4-[(4-cyanophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 39860083
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 4-[3-[(4-cyano-2-fluorophenyl)methoxy]-4-cyclopropylpyrazol-1-yl]piperidine-1-carboxylate
CID 162737913
tert-butyl 4-[4-cyano-3-[(4-cyano-2-fluorophenyl)methoxy]pyrazol-1-yl]piperidine-1-carboxylate
CID 162737688
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-[6-[(4-cyano-2-fluorophenyl)methoxy]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 167093664
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate (CID 134611206) is tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(OCc3ccc(C#N)cc3)n2)CC1.
What is the InChIKey of tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is IZEUZQGSNCGIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-23(2,3)30-22(28)27-12-10-18(11-13-27)20-9-8-19(24)21(26-20)29-15-17-6-4-16(14-25)5-7-17/h4-9,18H,10-13,15H2,1-3H3.
What are the key properties of tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(4-cyanophenyl)methoxy]-5-fluoro-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 134611206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).