1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)

C14H17F6N3O4 — CID 22648051

IUPAC1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C10H15N3.2C2HF3O2/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;2*3-2(4,5)1(6)7/h1-4,11H,5-9H2;2*(H,6,7)
InChIKeyWBSRNALBUWEJJF-UHFFFAOYSA-N
MW405.30 g/mol
LogP1.75
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22648051) has the molecular formula C14H17F6N3O4 and a molecular weight of 405.30 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID22648051
Molecular FormulaC14H17F6N3O4
Molecular Weight405.30 g/mol
Exact Mass405.11
IUPAC Name1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C10H15N3.2C2HF3O2/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;2*3-2(4,5)1(6)7/h1-4,11H,5-9H2;2*(H,6,7)
InChIKeyWBSRNALBUWEJJF-UHFFFAOYSA-N
XLogP1.75
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
3-(pyridin-2-ylmethyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155847164
1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
CID 167924639
2,8-bis(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 171693389
4,9-bis(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171693125
1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155846398
(3aS,6aR)-2-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155826948
2-methyl-4-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171689843
2-methoxy-1-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 171672878
[(3aR,6aS)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155826919

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 22648051) is 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCNCC2)nc1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WBSRNALBUWEJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2C2HF3O2/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;2*3-2(4,5)1(6)7/h1-4,11H,5-9H2;2*(H,6,7).
What are the key properties of 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 405.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22648051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).