tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate

C12H24N2O3 — CID 83899853

IUPACtert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(O)CCCNC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-6-12(16)5-4-7-13-9-12/h13,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyDQDKZMOVMYXPGV-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.02
Rot. Bonds3

About tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate

tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate (PubChem CID 83899853) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate
PubChem CID83899853
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1(O)CCCNC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-6-12(16)5-4-7-13-9-12/h13,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyDQDKZMOVMYXPGV-UHFFFAOYSA-N
XLogP1.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate (CID 83899853) is tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1(O)CCCNC1.
What is the InChIKey of tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate?
The InChIKey is DQDKZMOVMYXPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-8-6-12(16)5-4-7-13-9-12/h13,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-hydroxypiperidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 83899853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).