2-iodo-N'-piperidin-4-ylpropane-1,3-diamine

C8H18IN3 — CID 139547887

IUPAC2-iodo-N'-piperidin-4-ylpropane-1,3-diamine
SMILESNCC(I)CNC1CCNCC1
InChIInChI=1S/C8H18IN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h7-8,11-12H,1-6,10H2
InChIKeyMYFCUJQQDLNZQA-UHFFFAOYSA-N
MW283.16 g/mol
LogP0.09
Rot. Bonds4

About 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine

2-iodo-N'-piperidin-4-ylpropane-1,3-diamine (PubChem CID 139547887) has the molecular formula C8H18IN3 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-iodo-N'-piperidin-4-ylpropane-1,3-diamine
PubChem CID139547887
Molecular FormulaC8H18IN3
Molecular Weight283.16 g/mol
Exact Mass283.05
IUPAC Name2-iodo-N'-piperidin-4-ylpropane-1,3-diamine
SMILESNCC(I)CNC1CCNCC1
InChIInChI=1S/C8H18IN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h7-8,11-12H,1-6,10H2
InChIKeyMYFCUJQQDLNZQA-UHFFFAOYSA-N
XLogP0.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine?
The IUPAC name of 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine (CID 139547887) is 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine?
The canonical SMILES for 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine is NCC(I)CNC1CCNCC1.
What is the InChIKey of 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine?
The InChIKey is MYFCUJQQDLNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18IN3/c9-7(5-10)6-12-8-1-3-11-4-2-8/h7-8,11-12H,1-6,10H2.
What are the key properties of 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine?
2-iodo-N'-piperidin-4-ylpropane-1,3-diamine has a molecular weight of 283.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N'-piperidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 139547887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).