1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride

C11H17BrClN3 — CID 71644395

IUPAC1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccc(Br)nc2)CC1
InChIInChI=1S/C11H16BrN3.ClH/c12-11-2-1-9(7-14-11)8-15-5-3-10(13)4-6-15;/h1-2,7,10H,3-6,8,13H2;1H
InChIKeySBLPIKBCWZZHLJ-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.19
Rot. Bonds2

About 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride

1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 71644395) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID71644395
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccc(Br)nc2)CC1
InChIInChI=1S/C11H16BrN3.ClH/c12-11-2-1-9(7-14-11)8-15-5-3-10(13)4-6-15;/h1-2,7,10H,3-6,8,13H2;1H
InChIKeySBLPIKBCWZZHLJ-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 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 ≤ 52.19
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-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride (CID 71644395) is 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride is Cl.NC1CCN(Cc2ccc(Br)nc2)CC1.
What is the InChIKey of 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is SBLPIKBCWZZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c12-11-2-1-9(7-14-11)8-15-5-3-10(13)4-6-15;/h1-2,7,10H,3-6,8,13H2;1H.
What are the key properties of 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71644395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).