tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate

C11H20N2O4 — CID 143402030

IUPACtert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
SMILESCOC1CN(C(=O)OC(C)(C)C)CCC1N=O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(14)13-6-5-8(12-15)9(7-13)16-4/h8-9H,5-7H2,1-4H3
InChIKeyOGKKYVQIAPVKPN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.78
Rot. Bonds2

About tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate

tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate (PubChem CID 143402030) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
PubChem CID143402030
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
SMILESCOC1CN(C(=O)OC(C)(C)C)CCC1N=O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(14)13-6-5-8(12-15)9(7-13)16-4/h8-9H,5-7H2,1-4H3
InChIKeyOGKKYVQIAPVKPN-UHFFFAOYSA-N
XLogP1.78
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
CID 118661700
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3R,4S)-3-methoxy-4-methylpyrrolidine-1-carboxylate;methane
CID 163714648
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415
tert-butyl (3S,4R)-3-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 122455643

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate (CID 143402030) is tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate is COC1CN(C(=O)OC(C)(C)C)CCC1N=O.
What is the InChIKey of tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate?
The InChIKey is OGKKYVQIAPVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(14)13-6-5-8(12-15)9(7-13)16-4/h8-9H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate?
tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate is sourced from PubChem (CID 143402030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).