1-(oxan-4-yl)piperidin-4-amine;dihydrochloride

C10H22Cl2N2O — CID 45156751

IUPAC1-(oxan-4-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C10H20N2O.2ClH/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10;;/h9-10H,1-8,11H2;2*1H
InChIKeyHYXJEJRVAXONMK-UHFFFAOYSA-N
MW257.20 g/mol
LogP1.43
Rot. Bonds1

About 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride

1-(oxan-4-yl)piperidin-4-amine;dihydrochloride (PubChem CID 45156751) has the molecular formula C10H22Cl2N2O and a molecular weight of 257.20 g/mol. Its IUPAC name is 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(oxan-4-yl)piperidin-4-amine;dihydrochloride
PubChem CID45156751
Molecular FormulaC10H22Cl2N2O
Molecular Weight257.20 g/mol
Exact Mass256.11
IUPAC Name1-(oxan-4-yl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C10H20N2O.2ClH/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10;;/h9-10H,1-8,11H2;2*1H
InChIKeyHYXJEJRVAXONMK-UHFFFAOYSA-N
XLogP1.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride (CID 45156751) is 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is HYXJEJRVAXONMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10;;/h9-10H,1-8,11H2;2*1H.
What are the key properties of 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride?
1-(oxan-4-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 45156751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).