1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride

C7H16Cl2F2N2 — CID 75480778

IUPAC1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(F)F)CC1
InChIInChI=1S/C7H14F2N2.2ClH/c8-7(9)5-11-3-1-6(10)2-4-11;;/h6-7H,1-5,10H2;2*1H
InChIKeyPBJVKRKGOGOFMF-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.52
Rot. Bonds2

About 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride

1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride (PubChem CID 75480778) has the molecular formula C7H16Cl2F2N2 and a molecular weight of 237.12 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride
PubChem CID75480778
Molecular FormulaC7H16Cl2F2N2
Molecular Weight237.12 g/mol
Exact Mass236.07
IUPAC Name1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(F)F)CC1
InChIInChI=1S/C7H14F2N2.2ClH/c8-7(9)5-11-3-1-6(10)2-4-11;;/h6-7H,1-5,10H2;2*1H
InChIKeyPBJVKRKGOGOFMF-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride (CID 75480778) is 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is PBJVKRKGOGOFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2.2ClH/c8-7(9)5-11-3-1-6(10)2-4-11;;/h6-7H,1-5,10H2;2*1H.
What are the key properties of 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride?
1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 237.12 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 75480778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).