tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate

C11H20N2O4 — CID 142979907

IUPACtert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN=O)CC1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(14)13-6-4-11(15,5-7-13)8-12-16/h15H,4-8H2,1-3H3
InChIKeyLASKEVVNGDTKDQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate (PubChem CID 142979907) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
PubChem CID142979907
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN=O)CC1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(14)13-6-4-11(15,5-7-13)8-12-16/h15H,4-8H2,1-3H3
InChIKeyLASKEVVNGDTKDQ-UHFFFAOYSA-N
XLogP1.51
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
CID 145290232
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
CID 129023836
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate
CID 22744586
tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate (CID 142979907) is tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CN=O)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate?
The InChIKey is LASKEVVNGDTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)17-9(14)13-6-4-11(15,5-7-13)8-12-16/h15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 142979907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).