tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate

C14H20IN3O3 — CID 67529349

IUPACtert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(I)cn2)CC1
InChIInChI=1S/C14H20IN3O3/c1-14(2,3)21-13(19)18-6-4-11(5-7-18)20-12-16-8-10(15)9-17-12/h8-9,11H,4-7H2,1-3H3
InChIKeyUBYQKNYTCNEOAS-UHFFFAOYSA-N
MW405.24 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate (PubChem CID 67529349) has the molecular formula C14H20IN3O3 and a molecular weight of 405.24 g/mol. Its IUPAC name is tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
PubChem CID67529349
Molecular FormulaC14H20IN3O3
Molecular Weight405.24 g/mol
Exact Mass405.05
IUPAC Nametert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ncc(I)cn2)CC1
InChIInChI=1S/C14H20IN3O3/c1-14(2,3)21-13(19)18-6-4-11(5-7-18)20-12-16-8-10(15)9-17-12/h8-9,11H,4-7H2,1-3H3
InChIKeyUBYQKNYTCNEOAS-UHFFFAOYSA-N
XLogP2.86
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-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

Related Compounds

tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
CID 23115989
tert-butyl 4-[(5-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylate
CID 90288728
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl (3R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]oxypyrrolidine-1-carboxylate
CID 71629514
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate (CID 67529349) is tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ncc(I)cn2)CC1.
What is the InChIKey of tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate?
The InChIKey is UBYQKNYTCNEOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O3/c1-14(2,3)21-13(19)18-6-4-11(5-7-18)20-12-16-8-10(15)9-17-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate has a molecular weight of 405.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 67529349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).