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

C7H15Cl2F3N2 — CID 42937270

IUPAC1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2.2ClH/c8-7(9,10)5-12-3-1-6(11)2-4-12;;/h6H,1-5,11H2;2*1H
InChIKeyWWIIKLMNKWPUJY-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.82
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride (PubChem CID 42937270) has the molecular formula C7H15Cl2F3N2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride
PubChem CID42937270
Molecular FormulaC7H15Cl2F3N2
Molecular Weight255.11 g/mol
Exact Mass254.06
IUPAC Name1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2.2ClH/c8-7(9,10)5-12-3-1-6(11)2-4-12;;/h6H,1-5,11H2;2*1H
InChIKeyWWIIKLMNKWPUJY-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride (CID 42937270) is 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is WWIIKLMNKWPUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.2ClH/c8-7(9,10)5-12-3-1-6(11)2-4-12;;/h6H,1-5,11H2;2*1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride?
1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 255.11 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 42937270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).