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

C17H24N2O2 — CID 134385674

IUPACtert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(/C=C/c2ccccn2)CC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-8,11,14H,9-10,12-13H2,1-3H3/b8-7+
InChIKeyMKYSIHDVSPDRAE-BQYQJAHWSA-N
MW288.39 g/mol
LogP3.74
Rot. Bonds2

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

tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate (PubChem CID 134385674) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate
PubChem CID134385674
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nametert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(/C=C/c2ccccn2)CC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-8,11,14H,9-10,12-13H2,1-3H3/b8-7+
InChIKeyMKYSIHDVSPDRAE-BQYQJAHWSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate (CID 134385674) is tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(/C=C/c2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate?
The InChIKey is MKYSIHDVSPDRAE-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-8,11,14H,9-10,12-13H2,1-3H3/b8-7+.
What are the key properties of tert-butyl 4-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate?
tert-butyl 4-[(E)-2-pyridin-2-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-[(E)-2-pyridin-2-ylethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 134385674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).