tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate

C13H26N2O2 — CID 50986573

IUPACtert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15(11-6-8-14-9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyXZAWSXHPLCYGEF-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate

tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate (PubChem CID 50986573) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate
PubChem CID50986573
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-10(2)15(11-6-8-14-9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyXZAWSXHPLCYGEF-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate (CID 50986573) is tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate is CC(C)N(C(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate?
The InChIKey is XZAWSXHPLCYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15(11-6-8-14-9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate?
tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-4-yl-N-propan-2-ylcarbamate is sourced from PubChem (CID 50986573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).