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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Related Compounds

N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(6-methoxypyridin-2-yl)piperazine-1-carbothioamide
CID 53257137
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,4-butanediamine
CID 19762580
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,2-ethanediamine
CID 19762590
N-[2-[N-(4-methoxybenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,6-hexanediamine
CID 19762600
4-(2-Methoxypyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131556
4-(5-(3,6-Dihydro-2H-pyran-4-YL)-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49785436
U 80493
CID 196883
US10155760, Example 220
CID 118429773

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).