tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate

C17H24N2O3 — CID 58393206

IUPACtert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(/C=C/c2cccnc2)CC1
InChIInChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-11-8-17(21,9-12-19)7-6-14-5-4-10-18-13-14/h4-7,10,13,21H,8-9,11-12H2,1-3H3/b7-6+
InChIKeyQLRUCLXDDAMECO-VOTSOKGWSA-N
MW304.39 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate (PubChem CID 58393206) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
PubChem CID58393206
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(/C=C/c2cccnc2)CC1
InChIInChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-11-8-17(21,9-12-19)7-6-14-5-4-10-18-13-14/h4-7,10,13,21H,8-9,11-12H2,1-3H3/b7-6+
InChIKeyQLRUCLXDDAMECO-VOTSOKGWSA-N
XLogP2.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67217796
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
tert-butyl 3-amino-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 83694151
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-[(E)-2-(3-cyano-4-fluorophenyl)ethenyl]-4-hydroxypiperidine-1-carboxylate
CID 86730462
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
tert-butyl (1R,6R)-6-pyridin-3-yl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124848069
tert-butyl 6-[[1-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162501956
tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate
CID 66673641
tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207669
tert-butyl 6-hydroxy-6-pyridin-3-yl-2-azaspiro[3.3]heptane-2-carboxylate
CID 168920605

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate (CID 58393206) is tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(/C=C/c2cccnc2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate?
The InChIKey is QLRUCLXDDAMECO-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-11-8-17(21,9-12-19)7-6-14-5-4-10-18-13-14/h4-7,10,13,21H,8-9,11-12H2,1-3H3/b7-6+.
What are the key properties of tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 58393206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).