tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate

C16H30N2O4 — CID 67269811

IUPACtert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)CC[C@H]1CC1(O)CCOCC1
InChIInChI=1S/C16H30N2O4/c1-15(2,3)22-14(19)18-11-12(17)4-5-13(18)10-16(20)6-8-21-9-7-16/h12-13,20H,4-11,17H2,1-3H3/t12-,13-/m0/s1
InChIKeyFJPCVWGUZFNULD-STQMWFEESA-N
MW314.43 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate

tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate (PubChem CID 67269811) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate
PubChem CID67269811
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](N)CC[C@H]1CC1(O)CCOCC1
InChIInChI=1S/C16H30N2O4/c1-15(2,3)22-14(19)18-11-12(17)4-5-13(18)10-16(20)6-8-21-9-7-16/h12-13,20H,4-11,17H2,1-3H3/t12-,13-/m0/s1
InChIKeyFJPCVWGUZFNULD-STQMWFEESA-N
XLogP1.64
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate (CID 67269811) is tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](N)CC[C@H]1CC1(O)CCOCC1.
What is the InChIKey of tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate?
The InChIKey is FJPCVWGUZFNULD-STQMWFEESA-N. The full InChI is InChI=1S/C16H30N2O4/c1-15(2,3)22-14(19)18-11-12(17)4-5-13(18)10-16(20)6-8-21-9-7-16/h12-13,20H,4-11,17H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-5-amino-2-[(4-hydroxyoxan-4-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 67269811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).