N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

C18H27F3N2O — CID 24878951

IUPACN-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1
InChIInChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3
InChIKeyISXTVMLLUKKPCR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.94
Rot. Bonds8

About N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 24878951) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID24878951
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC NameN-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1
InChIInChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3
InChIKeyISXTVMLLUKKPCR-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 24878951) is N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is CCN(CCc1ccc(OC(F)(F)F)cc1)CCN1CCCCC1.
What is the InChIKey of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is ISXTVMLLUKKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3.
What are the key properties of N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 344.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-piperidin-1-ylethyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 24878951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).