tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride

C13H25ClN2O3 — CID 154878760

IUPACtert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(N2CCC(O)CC2)C1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-13(2,3)18-12(17)15-8-10(9-15)14-6-4-11(16)5-7-14;/h10-11,16H,4-9H2,1-3H3;1H
InChIKeyKMUJWQQXBNWFOG-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.48
Rot. Bonds1

About tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride

tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride (PubChem CID 154878760) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride
PubChem CID154878760
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Nametert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC(N2CCC(O)CC2)C1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-13(2,3)18-12(17)15-8-10(9-15)14-6-4-11(16)5-7-14;/h10-11,16H,4-9H2,1-3H3;1H
InChIKeyKMUJWQQXBNWFOG-UHFFFAOYSA-N
XLogP1.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride (CID 154878760) is tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC(N2CCC(O)CC2)C1.Cl.
What is the InChIKey of tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride?
The InChIKey is KMUJWQQXBNWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-13(2,3)18-12(17)15-8-10(9-15)14-6-4-11(16)5-7-14;/h10-11,16H,4-9H2,1-3H3;1H.
What are the key properties of tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride?
tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxypiperidin-1-yl)azetidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 154878760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).