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

C12H24N2O3 — CID 156892220

IUPACtert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1CCO
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-9(13)8-10(14)5-7-15/h9-10,15H,4-8,13H2,1-3H3/t9-,10+/m0/s1
InChIKeyCKEWRMFPVJDQOQ-VHSXEESVSA-N
MW244.33 g/mol
LogP1.10
Rot. Bonds2

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

tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 156892220) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID156892220
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1CCO
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-9(13)8-10(14)5-7-15/h9-10,15H,4-8,13H2,1-3H3/t9-,10+/m0/s1
InChIKeyCKEWRMFPVJDQOQ-VHSXEESVSA-N
XLogP1.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-2-butylpiperidine-1-carboxylate
CID 175292956
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170939015
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
CID 90070662
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
tert-butyl 5-(2-hydroxyethyl)-1,4-oxazepane-4-carboxylate
CID 141310875
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl 4-(2-aminoethyl)-2-ethylpiperidine-1-carboxylate
CID 84805351
4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid
CID 175561216

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate (CID 156892220) is tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1CCO.
What is the InChIKey of tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is CKEWRMFPVJDQOQ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-9(13)8-10(14)5-7-15/h9-10,15H,4-8,13H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 156892220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).