1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine

C13H27IN2 — CID 134415057

IUPAC1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine
SMILESCC(C)(CI)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27IN2/c1-12(2,3)16-8-6-11(7-9-16)15-13(4,5)10-14/h11,15H,6-10H2,1-5H3
InChIKeyOJPVFECWKYNGPS-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.05
Rot. Bonds3

About 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine

1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine (PubChem CID 134415057) has the molecular formula C13H27IN2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine
PubChem CID134415057
Molecular FormulaC13H27IN2
Molecular Weight338.28 g/mol
Exact Mass338.12
IUPAC Name1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine
SMILESCC(C)(CI)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H27IN2/c1-12(2,3)16-8-6-11(7-9-16)15-13(4,5)10-14/h11,15H,6-10H2,1-5H3
InChIKeyOJPVFECWKYNGPS-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine (CID 134415057) is 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine is CC(C)(CI)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine?
The InChIKey is OJPVFECWKYNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27IN2/c1-12(2,3)16-8-6-11(7-9-16)15-13(4,5)10-14/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine?
1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine has a molecular weight of 338.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 134415057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).