tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane

C13H28N2O2 — CID 142994161

IUPACtert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
SMILESCC.CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O2.C2H6/c1-11(2,3)15-10(14)12-9-5-7-13(4)8-6-9;1-2/h9H,5-8H2,1-4H3,(H,12,14);1-2H3
InChIKeyJWHJVHZYXGPKLL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.63
Rot. Bonds1

About tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane

tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane (PubChem CID 142994161) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
PubChem CID142994161
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
SMILESCC.CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O2.C2H6/c1-11(2,3)15-10(14)12-9-5-7-13(4)8-6-9;1-2/h9H,5-8H2,1-4H3,(H,12,14);1-2H3
InChIKeyJWHJVHZYXGPKLL-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
CID 19706124
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-(1-prop-1-enylpiperidin-4-yl)carbamate
CID 175488421
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
CID 59130918

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane (CID 142994161) is tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane is CC.CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane?
The InChIKey is JWHJVHZYXGPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-11(2,3)15-10(14)12-9-5-7-13(4)8-6-9;1-2/h9H,5-8H2,1-4H3,(H,12,14);1-2H3.
What are the key properties of tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane?
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane has a molecular weight of 244.38 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane is sourced from PubChem (CID 142994161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).