tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate

C15H25N3O2 — CID 129374369

IUPACtert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(N)C=C[C@@H]1C1CCNCC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(16)4-5-13(18)11-6-8-17-9-7-11/h4-5,10-11,13,17H,6-9,16H2,1-3H3/t13-/m1/s1
InChIKeyXBJGIPNETRLGQH-CYBMUJFWSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 129374369) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID129374369
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C=C(N)C=C[C@@H]1C1CCNCC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(16)4-5-13(18)11-6-8-17-9-7-11/h4-5,10-11,13,17H,6-9,16H2,1-3H3/t13-/m1/s1
InChIKeyXBJGIPNETRLGQH-CYBMUJFWSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate;hydrochloride
CID 118703286
tert-butyl 5-amino-6-bromo-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 68968868
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
tert-butyl 3-aminoazepine-1-carboxylate
CID 141121175
tert-butyl (3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[2,3-c]pyridine-1-carboxylate
CID 96591420
tert-butyl (2R)-5-iodo-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 130665668
tert-butyl 7-(hydroxymethyl)-1,4-diazepane-1-carboxylate
CID 178201698
tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
CID 165381985
tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 139415874
tert-butyl (1S,5R)-8-piperidin-4-yloxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 177118792

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 129374369) is tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1C=C(N)C=C[C@@H]1C1CCNCC1.
What is the InChIKey of tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is XBJGIPNETRLGQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(16)4-5-13(18)11-6-8-17-9-7-11/h4-5,10-11,13,17H,6-9,16H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 129374369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).