1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride

C8H18Cl2N2O — CID 71741918

IUPAC1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(C2COC2)CC1
InChIInChI=1S/C8H16N2O.2ClH/c9-7-1-3-10(4-2-7)8-5-11-6-8;;/h7-8H,1-6,9H2;2*1H
InChIKeyCCDQQELWWDIHMI-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.65
Rot. Bonds1

About 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride

1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride (PubChem CID 71741918) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride
PubChem CID71741918
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(C2COC2)CC1
InChIInChI=1S/C8H16N2O.2ClH/c9-7-1-3-10(4-2-7)8-5-11-6-8;;/h7-8H,1-6,9H2;2*1H
InChIKeyCCDQQELWWDIHMI-UHFFFAOYSA-N
XLogP0.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride (CID 71741918) is 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(C2COC2)CC1.
What is the InChIKey of 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is CCDQQELWWDIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c9-7-1-3-10(4-2-7)8-5-11-6-8;;/h7-8H,1-6,9H2;2*1H.
What are the key properties of 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride?
1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 71741918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).