1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine

C18H21F3N4O — CID 10365131

IUPAC1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCCc1cccnc1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)15-5-6-16(25-10-8-22-9-11-25)24-17(15)26-12-2-4-14-3-1-7-23-13-14/h1,3,5-7,13,22H,2,4,8-12H2
InChIKeyGJZATGDNYDSWNH-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.92
Rot. Bonds6

About 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10365131) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10365131
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OCCCc1cccnc1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)15-5-6-16(25-10-8-22-9-11-25)24-17(15)26-12-2-4-14-3-1-7-23-13-14/h1,3,5-7,13,22H,2,4,8-12H2
InChIKeyGJZATGDNYDSWNH-UHFFFAOYSA-N
XLogP2.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10365131) is 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1OCCCc1cccnc1.
What is the InChIKey of 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is GJZATGDNYDSWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)15-5-6-16(25-10-8-22-9-11-25)24-17(15)26-12-2-4-14-3-1-7-23-13-14/h1,3,5-7,13,22H,2,4,8-12H2.
What are the key properties of 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 366.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-pyridin-3-ylpropoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10365131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).