tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate

C16H25N3O2 — CID 44891233

IUPACtert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCc2ccncc2)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-5-14(12-19)18-11-13-6-8-17-9-7-13/h6-9,14,18H,4-5,10-12H2,1-3H3
InChIKeyLBUYCRLVNHYWHB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate

tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate (PubChem CID 44891233) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate
PubChem CID44891233
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCc2ccncc2)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-5-14(12-19)18-11-13-6-8-17-9-7-13/h6-9,14,18H,4-5,10-12H2,1-3H3
InChIKeyLBUYCRLVNHYWHB-UHFFFAOYSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(pyridin-4-ylmethylamino)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 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate (CID 44891233) is tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NCc2ccncc2)C1.
What is the InChIKey of tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is LBUYCRLVNHYWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-5-14(12-19)18-11-13-6-8-17-9-7-13/h6-9,14,18H,4-5,10-12H2,1-3H3.
What are the key properties of tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 44891233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).