tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate

C18H28N2O2 — CID 138039882

IUPACtert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-13-16(14-7-5-4-6-8-14)15-9-11-19-12-10-15/h4-8,15-16,19H,9-13H2,1-3H3,(H,20,21)
InChIKeyUOYGZLTXSRLIBV-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.29
Rot. Bonds4

About tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate

tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate (PubChem CID 138039882) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate
PubChem CID138039882
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccccc1)C1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-13-16(14-7-5-4-6-8-14)15-9-11-19-12-10-15/h4-8,15-16,19H,9-13H2,1-3H3,(H,20,21)
InChIKeyUOYGZLTXSRLIBV-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.29
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-phenyl-2-piperidin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate (CID 138039882) is tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate is CC(C)(C)OC(=O)NCC(c1ccccc1)C1CCNCC1.
What is the InChIKey of tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate?
The InChIKey is UOYGZLTXSRLIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-13-16(14-7-5-4-6-8-14)15-9-11-19-12-10-15/h4-8,15-16,19H,9-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate?
tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenyl-2-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 138039882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).