tert-butyl N-(3-ethylpiperidin-3-yl)carbamate

C12H24N2O2 — CID 84726051

IUPACtert-butyl N-(3-ethylpiperidin-3-yl)carbamate
SMILESCCC1(NC(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C12H24N2O2/c1-5-12(7-6-8-13-9-12)14-10(15)16-11(2,3)4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyWEEAKLWNDDAKIM-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-(3-ethylpiperidin-3-yl)carbamate

tert-butyl N-(3-ethylpiperidin-3-yl)carbamate (PubChem CID 84726051) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-(3-ethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethylpiperidin-3-yl)carbamate
PubChem CID84726051
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-(3-ethylpiperidin-3-yl)carbamate
SMILESCCC1(NC(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C12H24N2O2/c1-5-12(7-6-8-13-9-12)14-10(15)16-11(2,3)4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyWEEAKLWNDDAKIM-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl N-[3-(fluorooxymethyl)pyrrolidin-3-yl]carbamate
CID 170207829
tert-butyl N-[(3R)-3-ethylpyrrolidin-3-yl]carbamate;1-ethylpyrrolidin-3-amine
CID 68846094
tert-butyl N-[3-(fluoromethyl)azetidin-3-yl]carbamate
CID 135392464
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-ethylpiperidin-3-yl)carbamate (CID 84726051) is tert-butyl N-(3-ethylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethylpiperidin-3-yl)carbamate is CCC1(NC(=O)OC(C)(C)C)CCCNC1.
What is the InChIKey of tert-butyl N-(3-ethylpiperidin-3-yl)carbamate?
The InChIKey is WEEAKLWNDDAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-12(7-6-8-13-9-12)14-10(15)16-11(2,3)4/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(3-ethylpiperidin-3-yl)carbamate?
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 84726051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).