tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate

C12H23NO3 — CID 5103438

IUPACtert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCO
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3
InChIKeyLTVQOFUGXMVESU-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 5103438) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID5103438
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCO
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3
InChIKeyLTVQOFUGXMVESU-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate (CID 5103438) is tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCO.
What is the InChIKey of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is LTVQOFUGXMVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 5103438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).