1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C17H17ClF3N3 — CID 45277944

IUPAC1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C17H17ClF3N3/c18-15-4-1-13(2-5-15)12-23-7-9-24(10-8-23)16-6-3-14(11-22-16)17(19,20)21/h1-6,11H,7-10,12H2
InChIKeyWLFJDEMRKUWRBW-UHFFFAOYSA-N
MW355.79 g/mol
LogP4.08
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 45277944) has the molecular formula C17H17ClF3N3 and a molecular weight of 355.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID45277944
Molecular FormulaC17H17ClF3N3
Molecular Weight355.79 g/mol
Exact Mass355.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C17H17ClF3N3/c18-15-4-1-13(2-5-15)12-23-7-9-24(10-8-23)16-6-3-14(11-22-16)17(19,20)21/h1-6,11H,7-10,12H2
InChIKeyWLFJDEMRKUWRBW-UHFFFAOYSA-N
XLogP4.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Arylsulfonylpiperazine, 20
CID 44237024
5-(4-Chlorophenyl)-[3,3'-bipyridine]-6,6'-diamine
CID 118701008
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
(4-Chloro-benzyl)-(4-methyl-pyridin-2-yl)-amine
CID 975620
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733
N-p-Chlorobenzyl-N',N'-dimethyl-N-2-pyridylethylenediamine hydrochloride
CID 25294

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 45277944) is 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is WLFJDEMRKUWRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3/c18-15-4-1-13(2-5-15)12-23-7-9-24(10-8-23)16-6-3-14(11-22-16)17(19,20)21/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 355.79 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 45277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).