1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride

C11H14ClF3N2O — CID 86767631

IUPAC1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-5-15-6-8-16;/h1-4,15H,5-8H2;1H
InChIKeyUZHKTRQNXZMHKE-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.42
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride

1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride (PubChem CID 86767631) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
PubChem CID86767631
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C11H13F3N2O.ClH/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-5-15-6-8-16;/h1-4,15H,5-8H2;1H
InChIKeyUZHKTRQNXZMHKE-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039
(4-piperazin-1-ylphenoxy)boronic acid
CID 162076095
(1S)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1-[4-(trifluoromethoxy)phenyl]piperazine
CID 159535401
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane
CID 135192815
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
1-[(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171285875
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride (CID 86767631) is 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
The InChIKey is UZHKTRQNXZMHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)17-10-3-1-9(2-4-10)16-7-5-15-6-8-16;/h1-4,15H,5-8H2;1H.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride?
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 86767631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).