N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride

C8H16ClF3N2 — CID 71758336

IUPACN-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride
SMILESCN(CC(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C8H15F3N2.ClH/c1-13(6-8(9,10)11)7-2-4-12-5-3-7;/h7,12H,2-6H2,1H3;1H
InChIKeyTVQIGGRIQQXJDU-UHFFFAOYSA-N
MW232.68 g/mol
LogP1.65
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride

N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride (PubChem CID 71758336) has the molecular formula C8H16ClF3N2 and a molecular weight of 232.68 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride
PubChem CID71758336
Molecular FormulaC8H16ClF3N2
Molecular Weight232.68 g/mol
Exact Mass232.10
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride
SMILESCN(CC(F)(F)F)C1CCNCC1.Cl
InChIInChI=1S/C8H15F3N2.ClH/c1-13(6-8(9,10)11)7-2-4-12-5-3-7;/h7,12H,2-6H2,1H3;1H
InChIKeyTVQIGGRIQQXJDU-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride (CID 71758336) is N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride is CN(CC(F)(F)F)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride?
The InChIKey is TVQIGGRIQQXJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.ClH/c1-13(6-8(9,10)11)7-2-4-12-5-3-7;/h7,12H,2-6H2,1H3;1H.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride?
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride has a molecular weight of 232.68 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71758336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).