(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine

C18H20F3N3O — CID 10454284

IUPAC(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(OCc2ccccc2)n1
InChIInChI=1S/C18H20F3N3O/c1-13-11-22-9-10-24(13)16-8-7-15(18(19,20)21)17(23-16)25-12-14-5-3-2-4-6-14/h2-8,13,22H,9-12H2,1H3/t13-/m1/s1
InChIKeySZSVGTFMHBWDFK-CYBMUJFWSA-N
MW351.37 g/mol
LogP3.48
Rot. Bonds4

About (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine

(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10454284) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10454284
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(OCc2ccccc2)n1
InChIInChI=1S/C18H20F3N3O/c1-13-11-22-9-10-24(13)16-8-7-15(18(19,20)21)17(23-16)25-12-14-5-3-2-4-6-14/h2-8,13,22H,9-12H2,1H3/t13-/m1/s1
InChIKeySZSVGTFMHBWDFK-CYBMUJFWSA-N
XLogP3.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-[6-phenylmethoxy-4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 69498014
acetic acid;(2S)-2-methyl-1-[6-phenylmethoxy-4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 162331288
1-[6-(2-phenoxyethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 10094031
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
CID 167910941
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
1-[6-[(2,3-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11743581
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023691
3-methyl-6-[(2R)-2-methylpiperazin-1-yl]-2-(2-phenylethyl)pyrimidin-4-one
CID 45484902
(2R)-1-(6-bromo-2-pyridinyl)-2-methylpiperazine
CID 97163339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10454284) is (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is C[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(OCc2ccccc2)n1.
What is the InChIKey of (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is SZSVGTFMHBWDFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-13-11-22-9-10-24(13)16-8-7-15(18(19,20)21)17(23-16)25-12-14-5-3-2-4-6-14/h2-8,13,22H,9-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 351.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).