N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine

C20H25F3N4O — CID 46916628

IUPACN,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C20H25F3N4O/c1-25(2)9-10-26-11-13-27(14-12-26)19-8-5-17(15-24-19)16-3-6-18(7-4-16)28-20(21,22)23/h3-8,15H,9-14H2,1-2H3
InChIKeyXEDCCWUMRMAQDL-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.33
Rot. Bonds6

About N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine

N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine (PubChem CID 46916628) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine
PubChem CID46916628
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine
SMILESCN(C)CCN1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1
InChIInChI=1S/C20H25F3N4O/c1-25(2)9-10-26-11-13-27(14-12-26)19-8-5-17(15-24-19)16-3-6-18(7-4-16)28-20(21,22)23/h3-8,15H,9-14H2,1-2H3
InChIKeyXEDCCWUMRMAQDL-UHFFFAOYSA-N
XLogP3.33
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine (CID 46916628) is N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine is CN(C)CCN1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine?
The InChIKey is XEDCCWUMRMAQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-25(2)9-10-26-11-13-27(14-12-26)19-8-5-17(15-24-19)16-3-6-18(7-4-16)28-20(21,22)23/h3-8,15H,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine?
N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine has a molecular weight of 394.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 46916628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).