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

C17H24N2O3 — CID 67217796

IUPACtert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(C=Cc2ccncc2)CC1
InChIInChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-12-8-17(21,9-13-19)7-4-14-5-10-18-11-6-14/h4-7,10-11,21H,8-9,12-13H2,1-3H3
InChIKeyCBVZWPNZXWTXTL-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.86
Rot. Bonds2

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

tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate (PubChem CID 67217796) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
PubChem CID67217796
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(C=Cc2ccncc2)CC1
InChIInChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-12-8-17(21,9-13-19)7-4-14-5-10-18-11-6-14/h4-7,10-11,21H,8-9,12-13H2,1-3H3
InChIKeyCBVZWPNZXWTXTL-UHFFFAOYSA-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-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67067068
tert-butyl 4-[(E)-2-(3-cyano-4-fluorophenyl)ethenyl]-4-hydroxypiperidine-1-carboxylate
CID 86730462
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
CID 58993693
tert-butyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylpiperidine-1-carboxylate
CID 154713293
tert-butyl 4-(3-oxo-3-pyridin-4-ylprop-1-ynyl)-4-trimethylsilyloxypiperidine-1-carboxylate
CID 59293786
tert-butyl 3-[(E)-3-pyridin-4-ylprop-2-enoyl]piperidine-1-carboxylate
CID 178156523
tert-butyl 4-pyridin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394486
tert-butyl 3-cyano-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 22236898
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719549
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate (CID 67217796) is tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(C=Cc2ccncc2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
The InChIKey is CBVZWPNZXWTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(2,3)22-15(20)19-12-8-17(21,9-13-19)7-4-14-5-10-18-11-6-14/h4-7,10-11,21H,8-9,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(2-pyridin-4-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-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 67217796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).