4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride

C13H19ClN2 — CID 161319445

IUPAC4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride
SMILESCl.NC12CCC(c3ccncc3)(CC1)CC2
InChIInChI=1S/C13H18N2.ClH/c14-13-6-3-12(4-7-13,5-8-13)11-1-9-15-10-2-11;/h1-2,9-10H,3-8,14H2;1H
InChIKeyVJYDUHQTINBTKF-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.81
Rot. Bonds1

About 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride

4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride (PubChem CID 161319445) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride
PubChem CID161319445
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride
SMILESCl.NC12CCC(c3ccncc3)(CC1)CC2
InChIInChI=1S/C13H18N2.ClH/c14-13-6-3-12(4-7-13,5-8-13)11-1-9-15-10-2-11;/h1-2,9-10H,3-8,14H2;1H
InChIKeyVJYDUHQTINBTKF-UHFFFAOYSA-N
XLogP2.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride?
The IUPAC name of 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride (CID 161319445) is 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride.
What is the SMILES notation for 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride?
The canonical SMILES for 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride is Cl.NC12CCC(c3ccncc3)(CC1)CC2.
What is the InChIKey of 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride?
The InChIKey is VJYDUHQTINBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.ClH/c14-13-6-3-12(4-7-13,5-8-13)11-1-9-15-10-2-11;/h1-2,9-10H,3-8,14H2;1H.
What are the key properties of 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride?
4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride is sourced from PubChem (CID 161319445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).