tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate

C17H24N2O2 — CID 67067068

IUPACtert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=Cc2ccncc2)CC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3
InChIKeyDMDGNYXNTRMLOE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate

tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate (PubChem CID 67067068) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
PubChem CID67067068
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nametert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C=Cc2ccncc2)CC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3
InChIKeyDMDGNYXNTRMLOE-UHFFFAOYSA-N
XLogP3.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(4-methylsulfanylphenyl)ethenyl]piperidine-1-carboxylate
CID 67082506
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 4-[(E)-2-(3-tert-butylphenyl)ethenyl]piperidine-1-carboxylate
CID 59686322
tert-butyl 4-[(E)-2-(4-butan-2-ylphenyl)ethenyl]piperidine-1-carboxylate
CID 156725948
tert-butyl (3S)-3-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate
CID 67382808
tert-butyl 4-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethenyl]piperidine-1-carboxylate
CID 68946388
tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67217796
tert-butyl 4-[(E)-2-(2-fluorophenyl)ethenyl]piperidine-1-carboxylate
CID 59686411
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 3-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-1-carboxylate
CID 178156523
tert-butyl 4-[(E)-2-[3-(methoxymethoxy)phenyl]ethenyl]piperidine-1-carboxylate
CID 59686353

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate (CID 67067068) is tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C=Cc2ccncc2)CC1.
What is the InChIKey of tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
The InChIKey is DMDGNYXNTRMLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-8-15(9-13-19)5-4-14-6-10-18-11-7-14/h4-7,10-11,15H,8-9,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 67067068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).