tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate

C11H22N2O3 — CID 130003369

IUPACtert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate
SMILESCNC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-9(14)8(7-13)12-4/h8-9,12,14H,5-7H2,1-4H3
InChIKeyZTLJBUWAPMCLAM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.58
Rot. Bonds1

About tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate

tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate (PubChem CID 130003369) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate
PubChem CID130003369
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate
SMILESCNC1CN(C(=O)OC(C)(C)C)CCC1O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-9(14)8(7-13)12-4/h8-9,12,14H,5-7H2,1-4H3
InChIKeyZTLJBUWAPMCLAM-UHFFFAOYSA-N
XLogP0.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate (CID 130003369) is tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate is CNC1CN(C(=O)OC(C)(C)C)CCC1O.
What is the InChIKey of tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate?
The InChIKey is ZTLJBUWAPMCLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-9(14)8(7-13)12-4/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 130003369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).