2-bromo-N-piperidin-4-ylpiperidin-4-amine

C10H20BrN3 — CID 164897392

IUPAC2-bromo-N-piperidin-4-ylpiperidin-4-amine
SMILESBrC1CC(NC2CCNCC2)CCN1
InChIInChI=1S/C10H20BrN3/c11-10-7-9(3-6-13-10)14-8-1-4-12-5-2-8/h8-10,12-14H,1-7H2
InChIKeyYCFKWHMPATWBOG-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.80
Rot. Bonds2

About 2-bromo-N-piperidin-4-ylpiperidin-4-amine

2-bromo-N-piperidin-4-ylpiperidin-4-amine (PubChem CID 164897392) has the molecular formula C10H20BrN3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-piperidin-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name2-bromo-N-piperidin-4-ylpiperidin-4-amine
PubChem CID164897392
Molecular FormulaC10H20BrN3
Molecular Weight262.19 g/mol
Exact Mass261.08
IUPAC Name2-bromo-N-piperidin-4-ylpiperidin-4-amine
SMILESBrC1CC(NC2CCNCC2)CCN1
InChIInChI=1S/C10H20BrN3/c11-10-7-9(3-6-13-10)14-8-1-4-12-5-2-8/h8-10,12-14H,1-7H2
InChIKeyYCFKWHMPATWBOG-UHFFFAOYSA-N
XLogP0.80
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-piperidin-4-ylpiperidin-4-amine?
The IUPAC name of 2-bromo-N-piperidin-4-ylpiperidin-4-amine (CID 164897392) is 2-bromo-N-piperidin-4-ylpiperidin-4-amine.
What is the SMILES notation for 2-bromo-N-piperidin-4-ylpiperidin-4-amine?
The canonical SMILES for 2-bromo-N-piperidin-4-ylpiperidin-4-amine is BrC1CC(NC2CCNCC2)CCN1.
What is the InChIKey of 2-bromo-N-piperidin-4-ylpiperidin-4-amine?
The InChIKey is YCFKWHMPATWBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN3/c11-10-7-9(3-6-13-10)14-8-1-4-12-5-2-8/h8-10,12-14H,1-7H2.
What are the key properties of 2-bromo-N-piperidin-4-ylpiperidin-4-amine?
2-bromo-N-piperidin-4-ylpiperidin-4-amine has a molecular weight of 262.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-piperidin-4-ylpiperidin-4-amine is sourced from PubChem (CID 164897392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).