tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate

C13H26N2O2 — CID 90190140

IUPACtert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-13(4,5)10-7-6-8-14-9-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyZBLCDZYVRGRHNO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate

tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate (PubChem CID 90190140) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate
PubChem CID90190140
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1CCCNC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-13(4,5)10-7-6-8-14-9-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyZBLCDZYVRGRHNO-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate (CID 90190140) is tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C)(C)C1CCCNC1.
What is the InChIKey of tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate?
The InChIKey is ZBLCDZYVRGRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-13(4,5)10-7-6-8-14-9-10/h10,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate?
tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate is sourced from PubChem (CID 90190140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).