tert-butyl N-(3-piperidin-3-ylphenyl)carbamate

C16H24N2O2 — CID 45358645

IUPACtert-butyl N-(3-piperidin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C2CCCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-14-8-4-6-12(10-14)13-7-5-9-17-11-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19)
InChIKeyMRRCMEJMLODJCD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl N-(3-piperidin-3-ylphenyl)carbamate

tert-butyl N-(3-piperidin-3-ylphenyl)carbamate (PubChem CID 45358645) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-(3-piperidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-piperidin-3-ylphenyl)carbamate
PubChem CID45358645
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-(3-piperidin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C2CCCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-14-8-4-6-12(10-14)13-7-5-9-17-11-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19)
InChIKeyMRRCMEJMLODJCD-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-piperidin-3-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-piperidin-3-ylphenyl)carbamate (CID 45358645) is tert-butyl N-(3-piperidin-3-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-piperidin-3-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-piperidin-3-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(C2CCCNC2)c1.
What is the InChIKey of tert-butyl N-(3-piperidin-3-ylphenyl)carbamate?
The InChIKey is MRRCMEJMLODJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-14-8-4-6-12(10-14)13-7-5-9-17-11-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(3-piperidin-3-ylphenyl)carbamate?
tert-butyl N-(3-piperidin-3-ylphenyl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-piperidin-3-ylphenyl)carbamate is sourced from PubChem (CID 45358645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).