1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride

C8H17Cl2F3N2 — CID 139369273

IUPAC1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride
SMILESCC(N1CCC(N)CC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H15F3N2.2ClH/c1-6(8(9,10)11)13-4-2-7(12)3-5-13;;/h6-7H,2-5,12H2,1H3;2*1H
InChIKeyRXIULCILDDVONF-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.20
Rot. Bonds1

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

1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride (PubChem CID 139369273) has the molecular formula C8H17Cl2F3N2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride
PubChem CID139369273
Molecular FormulaC8H17Cl2F3N2
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride
SMILESCC(N1CCC(N)CC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C8H15F3N2.2ClH/c1-6(8(9,10)11)13-4-2-7(12)3-5-13;;/h6-7H,2-5,12H2,1H3;2*1H
InChIKeyRXIULCILDDVONF-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride (CID 139369273) is 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride is CC(N1CCC(N)CC1)C(F)(F)F.Cl.Cl.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride?
The InChIKey is RXIULCILDDVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.2ClH/c1-6(8(9,10)11)13-4-2-7(12)3-5-13;;/h6-7H,2-5,12H2,1H3;2*1H.
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride?
1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 139369273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).