[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine

C10H19F3N2O — CID 107160495

IUPAC[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-9(8-14)2-4-15(5-3-9)6-7-16-10(11,12)13/h2-8,14H2,1H3
InChIKeyHVQARBWPUVZDPV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.58
Rot. Bonds4

About [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine

[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine (PubChem CID 107160495) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine
PubChem CID107160495
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(CCOC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-9(8-14)2-4-15(5-3-9)6-7-16-10(11,12)13/h2-8,14H2,1H3
InChIKeyHVQARBWPUVZDPV-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine (CID 107160495) is [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine is CC1(CN)CCN(CCOC(F)(F)F)CC1.
What is the InChIKey of [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
The InChIKey is HVQARBWPUVZDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(8-14)2-4-15(5-3-9)6-7-16-10(11,12)13/h2-8,14H2,1H3.
What are the key properties of [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine?
[4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 107160495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).