4-iodo-1-propan-2-ylpiperidin-4-amine

C8H17IN2 — CID 155455763

IUPAC4-iodo-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)(I)CC1
InChIInChI=1S/C8H17IN2/c1-7(2)11-5-3-8(9,10)4-6-11/h7H,3-6,10H2,1-2H3
InChIKeyJUZBWOYJOVTLBT-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.58
Rot. Bonds1

About 4-iodo-1-propan-2-ylpiperidin-4-amine

4-iodo-1-propan-2-ylpiperidin-4-amine (PubChem CID 155455763) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-iodo-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-iodo-1-propan-2-ylpiperidin-4-amine
PubChem CID155455763
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC Name4-iodo-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)(I)CC1
InChIInChI=1S/C8H17IN2/c1-7(2)11-5-3-8(9,10)4-6-11/h7H,3-6,10H2,1-2H3
InChIKeyJUZBWOYJOVTLBT-UHFFFAOYSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.58
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-iodo-1-propan-2-ylpiperidin-4-amine (CID 155455763) is 4-iodo-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-iodo-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-iodo-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)(I)CC1.
What is the InChIKey of 4-iodo-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JUZBWOYJOVTLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2/c1-7(2)11-5-3-8(9,10)4-6-11/h7H,3-6,10H2,1-2H3.
What are the key properties of 4-iodo-1-propan-2-ylpiperidin-4-amine?
4-iodo-1-propan-2-ylpiperidin-4-amine has a molecular weight of 268.14 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 155455763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).