1-tert-butyl-3-(2-iodopropan-2-yl)piperidine

C12H24IN — CID 170043848

IUPAC1-tert-butyl-3-(2-iodopropan-2-yl)piperidine
SMILESCC(C)(I)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H24IN/c1-11(2,3)14-8-6-7-10(9-14)12(4,5)13/h10H,6-9H2,1-5H3
InChIKeyCDRFTXOGKSHSGL-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.71
Rot. Bonds1

About 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine

1-tert-butyl-3-(2-iodopropan-2-yl)piperidine (PubChem CID 170043848) has the molecular formula C12H24IN and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2-iodopropan-2-yl)piperidine
PubChem CID170043848
Molecular FormulaC12H24IN
Molecular Weight309.24 g/mol
Exact Mass309.10
IUPAC Name1-tert-butyl-3-(2-iodopropan-2-yl)piperidine
SMILESCC(C)(I)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C12H24IN/c1-11(2,3)14-8-6-7-10(9-14)12(4,5)13/h10H,6-9H2,1-5H3
InChIKeyCDRFTXOGKSHSGL-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine?
The IUPAC name of 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine (CID 170043848) is 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine is CC(C)(I)C1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine?
The InChIKey is CDRFTXOGKSHSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IN/c1-11(2,3)14-8-6-7-10(9-14)12(4,5)13/h10H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine?
1-tert-butyl-3-(2-iodopropan-2-yl)piperidine has a molecular weight of 309.24 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-iodopropan-2-yl)piperidine is sourced from PubChem (CID 170043848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).