2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

C18H21F3N4 — CID 58228272

IUPAC2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21F3N4/c19-18(20,21)17-7-6-14(13-23-17)16(12-22)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h1-7,13,16H,8-12,22H2
InChIKeyYHISWKMOQDBZAX-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 58228272) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID58228272
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H21F3N4/c19-18(20,21)17-7-6-14(13-23-17)16(12-22)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h1-7,13,16H,8-12,22H2
InChIKeyYHISWKMOQDBZAX-UHFFFAOYSA-N
XLogP2.92
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 58228272) is 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is NCC(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is YHISWKMOQDBZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4/c19-18(20,21)17-7-6-14(13-23-17)16(12-22)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h1-7,13,16H,8-12,22H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 350.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 58228272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).