tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate

C19H35N3O3 — CID 66841981

IUPACtert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCN2C3CCC2CC(O)C3)CC1
InChIInChI=1S/C19H35N3O3/c1-19(2,3)25-18(24)20-14-6-8-21(9-7-14)10-11-22-15-4-5-16(22)13-17(23)12-15/h14-17,23H,4-13H2,1-3H3,(H,20,24)
InChIKeyWWGDAKJYLBIQEH-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.96
Rot. Bonds4

About tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 66841981) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID66841981
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCN2C3CCC2CC(O)C3)CC1
InChIInChI=1S/C19H35N3O3/c1-19(2,3)25-18(24)20-14-6-8-21(9-7-14)10-11-22-15-4-5-16(22)13-17(23)12-15/h14-17,23H,4-13H2,1-3H3,(H,20,24)
InChIKeyWWGDAKJYLBIQEH-UHFFFAOYSA-N
XLogP1.96
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate (CID 66841981) is tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCN2C3CCC2CC(O)C3)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is WWGDAKJYLBIQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-19(2,3)25-18(24)20-14-6-8-21(9-7-14)10-11-22-15-4-5-16(22)13-17(23)12-15/h14-17,23H,4-13H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 353.51 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66841981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).