1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride

C11H17BrClN3 — CID 71642777

IUPAC1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(c2cccc(Br)n2)CC1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-13-9-5-7-15(8-6-9)11-4-2-3-10(12)14-11;/h2-4,9,13H,5-8H2,1H3;1H
InChIKeyPYZUJPICLSNFTN-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.45
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride

1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 71642777) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
PubChem CID71642777
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(c2cccc(Br)n2)CC1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-13-9-5-7-15(8-6-9)11-4-2-3-10(12)14-11;/h2-4,9,13H,5-8H2,1H3;1H
InChIKeyPYZUJPICLSNFTN-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride (CID 71642777) is 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(c2cccc(Br)n2)CC1.Cl.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is PYZUJPICLSNFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c1-13-9-5-7-15(8-6-9)11-4-2-3-10(12)14-11;/h2-4,9,13H,5-8H2,1H3;1H.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride?
1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 71642777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).