tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate

C19H26N2O3 — CID 23034009

IUPACtert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-11-8-15(9-12-21)10-13-23-17-6-4-16(14-20)5-7-17/h4-7,15H,8-13H2,1-3H3
InChIKeyWTKOWIFRAOEVJK-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.97
Rot. Bonds4

About tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 23034009) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
PubChem CID23034009
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-11-8-15(9-12-21)10-13-23-17-6-4-16(14-20)5-7-17/h4-7,15H,8-13H2,1-3H3
InChIKeyWTKOWIFRAOEVJK-UHFFFAOYSA-N
XLogP3.97
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 68715497
tert-butyl 4-[3-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]propyl]piperidine-1-carboxylate
CID 142200925
tert-butyl 4-[2-(3,4-dinitrophenoxy)ethyl]piperidine-1-carboxylate
CID 86612986
tert-butyl 3-[[4-(2-fluoroethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 155373878
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
2-[3-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 10526731
tert-butyl 4-[3-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenoxy]propyl]piperidine-1-carboxylate
CID 159636919
2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid
CID 67644896
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
CID 19034100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate (CID 23034009) is tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCOc2ccc(C#N)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is WTKOWIFRAOEVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)24-18(22)21-11-8-15(9-12-21)10-13-23-17-6-4-16(14-20)5-7-17/h4-7,15H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 23034009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).