3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride

C10H20Cl2N2 — CID 163342165

IUPAC3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride
SMILESCl.Cl.NC12CC(N3CCCCC3)(C1)C2
InChIInChI=1S/C10H18N2.2ClH/c11-9-6-10(7-9,8-9)12-4-2-1-3-5-12;;/h1-8,11H2;2*1H
InChIKeyDQRACOIKLSCDCS-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.95
Rot. Bonds1

About 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride

3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride (PubChem CID 163342165) has the molecular formula C10H20Cl2N2 and a molecular weight of 239.19 g/mol. Its IUPAC name is 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride
PubChem CID163342165
Molecular FormulaC10H20Cl2N2
Molecular Weight239.19 g/mol
Exact Mass238.10
IUPAC Name3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride
SMILESCl.Cl.NC12CC(N3CCCCC3)(C1)C2
InChIInChI=1S/C10H18N2.2ClH/c11-9-6-10(7-9,8-9)12-4-2-1-3-5-12;;/h1-8,11H2;2*1H
InChIKeyDQRACOIKLSCDCS-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride?
The IUPAC name of 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride (CID 163342165) is 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride.
What is the SMILES notation for 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride?
The canonical SMILES for 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride is Cl.Cl.NC12CC(N3CCCCC3)(C1)C2.
What is the InChIKey of 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride?
The InChIKey is DQRACOIKLSCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.2ClH/c11-9-6-10(7-9,8-9)12-4-2-1-3-5-12;;/h1-8,11H2;2*1H.
What are the key properties of 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride?
3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride has a molecular weight of 239.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylbicyclo[1.1.1]pentan-1-amine;dihydrochloride is sourced from PubChem (CID 163342165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).