tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate

C11H22N2O3 — CID 124703608

IUPACtert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1CO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(12)6-9(13)7-14/h8-9,14H,4-7,12H2,1-3H3/t8-,9+/m1/s1
InChIKeyWASPQYKCAGLHMM-BDAKNGLRSA-N
MW230.31 g/mol
LogP0.71
Rot. Bonds1

About tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 124703608) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID124703608
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1CO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(12)6-9(13)7-14/h8-9,14H,4-7,12H2,1-3H3/t8-,9+/m1/s1
InChIKeyWASPQYKCAGLHMM-BDAKNGLRSA-N
XLogP0.71
TPSA75.79 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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate (CID 124703608) is tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@H]1CO.
What is the InChIKey of tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is WASPQYKCAGLHMM-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-8(12)6-9(13)7-14/h8-9,14H,4-7,12H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 124703608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).