formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine

C12H15F3N2O — CID 159253416

IUPACformaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
SMILESC=O.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2.CH2O/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;1-2/h1-3,8,15H,4-7H2;1H2
InChIKeyKVOXFYOBBVBAQN-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.93
Rot. Bonds1

About formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine

formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 159253416) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Nameformaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID159253416
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Nameformaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
SMILESC=O.FC(F)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C11H13F3N2.CH2O/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;1-2/h1-3,8,15H,4-7H2;1H2
InChIKeyKVOXFYOBBVBAQN-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
tert-butyl 4-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxylate;1-[3-(trifluoromethyl)phenyl]-1,4-diazepane
CID 159737493
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
1-(1,3-benzodioxol-5-ylmethyl)piperazine;1-[3-(trifluoromethyl)phenyl]piperazine
CID 69265323
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
1-[3-(trifluoromethylsulfanyl)phenyl]piperazine
CID 3016557
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
(4-methoxypiperidin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;dihydrochloride
CID 119828329

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine (CID 159253416) is formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine is C=O.FC(F)(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is KVOXFYOBBVBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.CH2O/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;1-2/h1-3,8,15H,4-7H2;1H2.
What are the key properties of formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine?
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 260.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 159253416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).