(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine

C11H13F4N3 — CID 129105387

IUPAC(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)cc2F)CCN1
InChIInChI=1S/C11H13F4N3/c1-7-6-18(3-2-16-7)10-9(12)4-8(5-17-10)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyRJKFCIDAGXMKTF-SSDOTTSWSA-N
MW263.24 g/mol
LogP2.04
Rot. Bonds1

About (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine

(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine (PubChem CID 129105387) has the molecular formula C11H13F4N3 and a molecular weight of 263.24 g/mol. Its IUPAC name is (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
PubChem CID129105387
Molecular FormulaC11H13F4N3
Molecular Weight263.24 g/mol
Exact Mass263.10
IUPAC Name(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)cc2F)CCN1
InChIInChI=1S/C11H13F4N3/c1-7-6-18(3-2-16-7)10-9(12)4-8(5-17-10)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyRJKFCIDAGXMKTF-SSDOTTSWSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-5-(trifluoromethyl)pyridine;1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine;piperazine
CID 159468472
(3S)-1-(3-fluoro-5-nitro-2-pyridinyl)-3-methylpiperazine
CID 177354867
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine
CID 144656704
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 66477775

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine (CID 129105387) is (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine is C[C@@H]1CN(c2ncc(C(F)(F)F)cc2F)CCN1.
What is the InChIKey of (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine?
The InChIKey is RJKFCIDAGXMKTF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F4N3/c1-7-6-18(3-2-16-7)10-9(12)4-8(5-17-10)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine?
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine has a molecular weight of 263.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine is sourced from PubChem (CID 129105387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).