tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate

C12H24N2O3 — CID 125451291

IUPACtert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCO)C1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14(8-9-15)10-4-6-13-7-5-10/h10,13,15H,4-9H2,1-3H3
InChIKeyHODSBQBKLOFMDK-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds3

About tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate

tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate (PubChem CID 125451291) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
PubChem CID125451291
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CCO)C1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14(8-9-15)10-4-6-13-7-5-10/h10,13,15H,4-9H2,1-3H3
InChIKeyHODSBQBKLOFMDK-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate (CID 125451291) is tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(CCO)C1CCNCC1.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate?
The InChIKey is HODSBQBKLOFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14(8-9-15)10-4-6-13-7-5-10/h10,13,15H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate?
tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 125451291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).