tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate

C13H26N2O2 — CID 43187181

IUPACtert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
SMILESCN(CCC1CCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(4)10-8-11-7-5-6-9-14-11/h11,14H,5-10H2,1-4H3
InChIKeySIXXXTZPDOPMFL-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate

tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate (PubChem CID 43187181) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
PubChem CID43187181
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
SMILESCN(CCC1CCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(4)10-8-11-7-5-6-9-14-11/h11,14H,5-10H2,1-4H3
InChIKeySIXXXTZPDOPMFL-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl 2-(2-piperidin-2-ylethoxy)acetate
CID 71057140
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
CID 107246109
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide
CID 55119756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate (CID 43187181) is tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate is CN(CCC1CCCCN1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate?
The InChIKey is SIXXXTZPDOPMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15(4)10-8-11-7-5-6-9-14-11/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate?
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate is sourced from PubChem (CID 43187181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).