tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate

C15H25N3O2 — CID 138675035

IUPACtert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CCNCC2)=CC=C1N
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(4-5-13(18)16)11-6-8-17-9-7-11/h4-5,11,17H,6-10,16H2,1-3H3
InChIKeyGXDFQNFAIPVURD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 138675035) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID138675035
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CCNCC2)=CC=C1N
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(4-5-13(18)16)11-6-8-17-9-7-11/h4-5,11,17H,6-10,16H2,1-3H3
InChIKeyGXDFQNFAIPVURD-UHFFFAOYSA-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-2,3-difluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67025238
tert-butyl 5-fluoro-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544136
tert-butyl 3-fluoro-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 67544138
Tert-butyl 4-fluoro-4-(5-propan-2-yl-1,2-dihydropyridin-3-yl)piperidine-1-carboxylate
CID 165132459
tert-butyl 5-amino-6-(methylamino)-4-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 23216163
tert-butyl 3-amino-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 45789848
tert-butyl 5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 57355278
Tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate
CID 67433663
tert-butyl 4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carboxylate
CID 68427551
tert-butyl 3-bromo-6-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 68501631
Tert-butyl 4-(2-amino-1,2-dihydropyridin-5-yl)piperidine-1-carboxylate
CID 86341466
tert-butyl 6-ethoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 89651090

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 138675035) is tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C2CCNCC2)=CC=C1N.
What is the InChIKey of tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is GXDFQNFAIPVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-10-12(4-5-13(18)16)11-6-8-17-9-7-11/h4-5,11,17H,6-10,16H2,1-3H3.
What are the key properties of tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 6-amino-3-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 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 138675035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).