tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate

C15H21IN2O2 — CID 91663948

IUPACtert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncc(I)c2)CC1
InChIInChI=1S/C15H21IN2O2/c1-15(2,3)20-14(19)18-6-4-11(5-7-18)12-8-13(16)10-17-9-12/h8-11H,4-7H2,1-3H3
InChIKeyWIMIYGWYPONLCT-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.80
Rot. Bonds1

About tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 91663948) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
PubChem CID91663948
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC Nametert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncc(I)c2)CC1
InChIInChI=1S/C15H21IN2O2/c1-15(2,3)20-14(19)18-6-4-11(5-7-18)12-8-13(16)10-17-9-12/h8-11H,4-7H2,1-3H3
InChIKeyWIMIYGWYPONLCT-UHFFFAOYSA-N
XLogP3.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-(5-cyclopropyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 11695402
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 3-(5-isocyanato-3-pyridinyl)pyrrolidine-1-carboxylate
CID 115052584
tert-butyl 4-(5-iodo-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22053480
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
3-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 162396091
tert-butyl 4-(2-oxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 164662482
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[6-formyl-5-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxylate
CID 166078752

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate (CID 91663948) is tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cncc(I)c2)CC1.
What is the InChIKey of tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is WIMIYGWYPONLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-15(2,3)20-14(19)18-6-4-11(5-7-18)12-8-13(16)10-17-9-12/h8-11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 388.25 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 91663948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).