1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C15H20F3N3O — CID 172899349

IUPAC1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)13-2-1-5-19-14(13)21-8-6-20(7-9-21)12-3-10-22-11-4-12/h1-2,5,12H,3-4,6-11H2
InChIKeyBGZRZUSYPACGFF-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.40
Rot. Bonds2

About 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 172899349) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID172899349
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)13-2-1-5-19-14(13)21-8-6-20(7-9-21)12-3-10-22-11-4-12/h1-2,5,12H,3-4,6-11H2
InChIKeyBGZRZUSYPACGFF-UHFFFAOYSA-N
XLogP2.40
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
N-(4-methylphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 11562398
4-[8-[3-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69192086
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
morpholin-4-yl-[4-[3-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanone
CID 155981081
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N-(3-methoxyphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 11656486
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95188149

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 172899349) is 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cccnc1N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is BGZRZUSYPACGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)13-2-1-5-19-14(13)21-8-6-20(7-9-21)12-3-10-22-11-4-12/h1-2,5,12H,3-4,6-11H2.
What are the key properties of 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 315.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 172899349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).