N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine

C22H27F3N2O — CID 121418451

IUPACN,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine
SMILESCN(c1ccccc1)C1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H27F3N2O/c1-21(26(2)18-8-4-3-5-9-18)12-14-27(15-13-21)16-17-28-20-11-7-6-10-19(20)22(23,24)25/h3-11H,12-17H2,1-2H3
InChIKeyIGBQIKANRMDPDM-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.08
Rot. Bonds6

About N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine

N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine (PubChem CID 121418451) has the molecular formula C22H27F3N2O and a molecular weight of 392.47 g/mol. Its IUPAC name is N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine
PubChem CID121418451
Molecular FormulaC22H27F3N2O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC NameN,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine
SMILESCN(c1ccccc1)C1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H27F3N2O/c1-21(26(2)18-8-4-3-5-9-18)12-14-27(15-13-21)16-17-28-20-11-7-6-10-19(20)22(23,24)25/h3-11H,12-17H2,1-2H3
InChIKeyIGBQIKANRMDPDM-UHFFFAOYSA-N
XLogP5.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine?
The IUPAC name of N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine (CID 121418451) is N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine is CN(c1ccccc1)C1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine?
The InChIKey is IGBQIKANRMDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O/c1-21(26(2)18-8-4-3-5-9-18)12-14-27(15-13-21)16-17-28-20-11-7-6-10-19(20)22(23,24)25/h3-11H,12-17H2,1-2H3.
What are the key properties of N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine?
N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine has a molecular weight of 392.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-phenyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-amine is sourced from PubChem (CID 121418451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).