1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride

C7H15Cl2F3N2 — CID 75524992

IUPAC1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
SMILESCN1CCC(N)(C(F)(F)F)CC1.Cl.Cl
InChIInChI=1S/C7H13F3N2.2ClH/c1-12-4-2-6(11,3-5-12)7(8,9)10;;/h2-5,11H2,1H3;2*1H
InChIKeyVMNLYBZMCLQLLX-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.82
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride

1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride (PubChem CID 75524992) has the molecular formula C7H15Cl2F3N2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
PubChem CID75524992
Molecular FormulaC7H15Cl2F3N2
Molecular Weight255.11 g/mol
Exact Mass254.06
IUPAC Name1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
SMILESCN1CCC(N)(C(F)(F)F)CC1.Cl.Cl
InChIInChI=1S/C7H13F3N2.2ClH/c1-12-4-2-6(11,3-5-12)7(8,9)10;;/h2-5,11H2,1H3;2*1H
InChIKeyVMNLYBZMCLQLLX-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride (CID 75524992) is 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride is CN1CCC(N)(C(F)(F)F)CC1.Cl.Cl.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is VMNLYBZMCLQLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.2ClH/c1-12-4-2-6(11,3-5-12)7(8,9)10;;/h2-5,11H2,1H3;2*1H.
What are the key properties of 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 255.11 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 75524992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).