tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate

C15H25N3O2 — CID 67433663

IUPACtert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C=CC(N)=CN2)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13/h4-5,10-11,13,17H,6-9,16H2,1-3H3
InChIKeyAYNOGKIVPLSGSH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate (PubChem CID 67433663) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate
PubChem CID67433663
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C=CC(N)=CN2)CC1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13/h4-5,10-11,13,17H,6-9,16H2,1-3H3
InChIKeyAYNOGKIVPLSGSH-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

Analyze tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate (CID 67433663) is tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2C=CC(N)=CN2)CC1.
What is the InChIKey of tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate?
The InChIKey is AYNOGKIVPLSGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13/h4-5,10-11,13,17H,6-9,16H2,1-3H3.
What are the key properties of tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-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 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67433663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).