2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine

C14H26F3N3O2 — CID 146455439

IUPAC2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine
SMILESC[C@@H]1CN(C2CCNCC2)C[C@H](C)N1C.O=C(O)C(F)(F)F
InChIInChI=1S/C12H25N3.C2HF3O2/c1-10-8-15(9-11(2)14(10)3)12-4-6-13-7-5-12;3-2(4,5)1(6)7/h10-13H,4-9H2,1-3H3;(H,6,7)/t10-,11+;
InChIKeyNTLFXVZAZRNUGX-NJJJQDLFSA-N
MW325.38 g/mol
LogP1.40
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine

2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine (PubChem CID 146455439) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine
PubChem CID146455439
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC Name2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine
SMILESC[C@@H]1CN(C2CCNCC2)C[C@H](C)N1C.O=C(O)C(F)(F)F
InChIInChI=1S/C12H25N3.C2HF3O2/c1-10-8-15(9-11(2)14(10)3)12-4-6-13-7-5-12;3-2(4,5)1(6)7/h10-13H,4-9H2,1-3H3;(H,6,7)/t10-,11+;
InChIKeyNTLFXVZAZRNUGX-NJJJQDLFSA-N
XLogP1.40
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine?
The IUPAC name of 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine (CID 146455439) is 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine is C[C@@H]1CN(C2CCNCC2)C[C@H](C)N1C.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine?
The InChIKey is NTLFXVZAZRNUGX-NJJJQDLFSA-N. The full InChI is InChI=1S/C12H25N3.C2HF3O2/c1-10-8-15(9-11(2)14(10)3)12-4-6-13-7-5-12;3-2(4,5)1(6)7/h10-13H,4-9H2,1-3H3;(H,6,7)/t10-,11+;.
What are the key properties of 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine?
2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine has a molecular weight of 325.38 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine is sourced from PubChem (CID 146455439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).