tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol

C16H25NO5 — CID 89453263

IUPACtert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol
SMILESCC(C)(C)OC(=O)O.Oc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H15NO2.C5H10O3/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11;1-5(2,3)8-4(6)7/h1-4,11-13H,5-8H2;1-3H3,(H,6,7)
InChIKeyMQCVNLGWSDDHCY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol

tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol (PubChem CID 89453263) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol.

Molecular Properties

Compound Nametert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol
PubChem CID89453263
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Nametert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol
SMILESCC(C)(C)OC(=O)O.Oc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H15NO2.C5H10O3/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11;1-5(2,3)8-4(6)7/h1-4,11-13H,5-8H2;1-3H3,(H,6,7)
InChIKeyMQCVNLGWSDDHCY-UHFFFAOYSA-N
XLogP3.00
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol?
The IUPAC name of tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol (CID 89453263) is tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol.
What is the SMILES notation for tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol?
The canonical SMILES for tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol is CC(C)(C)OC(=O)O.Oc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol?
The InChIKey is MQCVNLGWSDDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C5H10O3/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11;1-5(2,3)8-4(6)7/h1-4,11-13H,5-8H2;1-3H3,(H,6,7).
What are the key properties of tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol?
tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol has a molecular weight of 311.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hydrogen carbonate;4-piperidin-4-yloxyphenol is sourced from PubChem (CID 89453263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).