1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

C11H14F3N3 — CID 82622598

IUPAC1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESFC(F)(F)c1ccncc1CN1CCNCC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-1-2-16-7-9(10)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2
InChIKeyIJDNZRNTTVCZGT-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.51
Rot. Bonds2

About 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine

1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 82622598) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
PubChem CID82622598
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
SMILESFC(F)(F)c1ccncc1CN1CCNCC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)10-1-2-16-7-9(10)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2
InChIKeyIJDNZRNTTVCZGT-UHFFFAOYSA-N
XLogP1.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
4-(piperazin-1-ylmethyl)-2,6-naphthyridine
CID 84792284
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 138001583
1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 82620222
1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
CID 86593827
4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117442103
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
(5-carbamoyl-3-pyridinyl) 4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 135320955

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The IUPAC name of 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (CID 82622598) is 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is FC(F)(F)c1ccncc1CN1CCNCC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
The InChIKey is IJDNZRNTTVCZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)10-1-2-16-7-9(10)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2.
What are the key properties of 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine?
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine has a molecular weight of 245.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine is sourced from PubChem (CID 82622598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).