6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride

C10H15BrClN3 — CID 170987771

IUPAC6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCC(Br)N(c2ccccn2)C1
InChIInChI=1S/C10H14BrN3.ClH/c11-9-5-4-8(12)7-14(9)10-3-1-2-6-13-10;/h1-3,6,8-9H,4-5,7,12H2;1H
InChIKeyQYGPNPVKFMSMNM-UHFFFAOYSA-N
MW292.61 g/mol
LogP2.15
Rot. Bonds1

About 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride

6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride (PubChem CID 170987771) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride
PubChem CID170987771
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCC(Br)N(c2ccccn2)C1
InChIInChI=1S/C10H14BrN3.ClH/c11-9-5-4-8(12)7-14(9)10-3-1-2-6-13-10;/h1-3,6,8-9H,4-5,7,12H2;1H
InChIKeyQYGPNPVKFMSMNM-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride?
The IUPAC name of 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride (CID 170987771) is 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride is Cl.NC1CCC(Br)N(c2ccccn2)C1.
What is the InChIKey of 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride?
The InChIKey is QYGPNPVKFMSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3.ClH/c11-9-5-4-8(12)7-14(9)10-3-1-2-6-13-10;/h1-3,6,8-9H,4-5,7,12H2;1H.
What are the key properties of 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride?
6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride has a molecular weight of 292.61 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-pyridin-2-ylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 170987771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).