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

C17H25F3N2O — CID 24879010

IUPACN-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1
InChIInChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyYUFDTETVOKSVLR-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.55
Rot. Bonds7

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

N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 24879010) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID24879010
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1
InChIInChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyYUFDTETVOKSVLR-UHFFFAOYSA-N
XLogP3.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine (CID 24879010) is N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine is CN(CCc1ccccc1OC(F)(F)F)CCN1CCCCC1.
What is the InChIKey of N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is YUFDTETVOKSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 330.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-1-ylethyl)-2-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 24879010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).