azane;tert-butyl piperidine-1-carboxylate

C10H22N2O2 — CID 134583959

IUPACazane;tert-butyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1.N
InChIInChI=1S/C10H19NO2.H3N/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h4-8H2,1-3H3;1H3
InChIKeyFLOUFXOGOOCDFI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.57
Rot. Bonds

About azane;tert-butyl piperidine-1-carboxylate

azane;tert-butyl piperidine-1-carboxylate (PubChem CID 134583959) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is azane;tert-butyl piperidine-1-carboxylate.

Molecular Properties

Compound Nameazane;tert-butyl piperidine-1-carboxylate
PubChem CID134583959
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameazane;tert-butyl piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1.N
InChIInChI=1S/C10H19NO2.H3N/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h4-8H2,1-3H3;1H3
InChIKeyFLOUFXOGOOCDFI-UHFFFAOYSA-N
XLogP2.57
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl 4-alumanyl-1,4-diazepane-1-carboxylate
CID 154554278
(1-amino-1-fluoroethyl) piperidine-1-carboxylate
CID 156636522

Frequently Asked Questions

What is the IUPAC name of azane;tert-butyl piperidine-1-carboxylate?
The IUPAC name of azane;tert-butyl piperidine-1-carboxylate (CID 134583959) is azane;tert-butyl piperidine-1-carboxylate.
What is the SMILES notation for azane;tert-butyl piperidine-1-carboxylate?
The canonical SMILES for azane;tert-butyl piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1.N.
What is the InChIKey of azane;tert-butyl piperidine-1-carboxylate?
The InChIKey is FLOUFXOGOOCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.H3N/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h4-8H2,1-3H3;1H3.
What are the key properties of azane;tert-butyl piperidine-1-carboxylate?
azane;tert-butyl piperidine-1-carboxylate has a molecular weight of 202.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tert-butyl piperidine-1-carboxylate is sourced from PubChem (CID 134583959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).