tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate

C11H20N2O2 — CID 134551040

IUPACtert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
SMILESC=C1CCC(NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C11H20N2O2/c1-8-5-6-9(7-12-8)13-10(14)15-11(2,3)4/h9,12H,1,5-7H2,2-4H3,(H,13,14)
InChIKeyFNDTWNRIXXPWMV-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.78
Rot. Bonds1

About tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate

tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate (PubChem CID 134551040) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
PubChem CID134551040
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
SMILESC=C1CCC(NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C11H20N2O2/c1-8-5-6-9(7-12-8)13-10(14)15-11(2,3)4/h9,12H,1,5-7H2,2-4H3,(H,13,14)
InChIKeyFNDTWNRIXXPWMV-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(6-ethylpiperidin-3-yl)carbamate
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tert-butyl N-(3-ethylidenecyclopentyl)carbamate
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tert-butyl N-(7-methyl-3-bicyclo[4.1.0]hept-1(6)-enyl)carbamate
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[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
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tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
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(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
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methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate (CID 134551040) is tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate is C=C1CCC(NC(=O)OC(C)(C)C)CN1.
What is the InChIKey of tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate?
The InChIKey is FNDTWNRIXXPWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-6-9(7-12-8)13-10(14)15-11(2,3)4/h9,12H,1,5-7H2,2-4H3,(H,13,14).
What are the key properties of tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate?
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate is sourced from PubChem (CID 134551040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).