3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

C19H23F3N6 — CID 165433334

IUPAC3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESFC(F)(F)c1ccc(N2CCN(c3ccc(N4CCCCC4)nn3)CC2)nc1
InChIInChI=1S/C19H23F3N6/c20-19(21,22)15-4-5-16(23-14-15)27-10-12-28(13-11-27)18-7-6-17(24-25-18)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13H2
InChIKeyBWXKKAPBLUPXTO-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.21
Rot. Bonds3

About 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (PubChem CID 165433334) has the molecular formula C19H23F3N6 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
PubChem CID165433334
Molecular FormulaC19H23F3N6
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESFC(F)(F)c1ccc(N2CCN(c3ccc(N4CCCCC4)nn3)CC2)nc1
InChIInChI=1S/C19H23F3N6/c20-19(21,22)15-4-5-16(23-14-15)27-10-12-28(13-11-27)18-7-6-17(24-25-18)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13H2
InChIKeyBWXKKAPBLUPXTO-UHFFFAOYSA-N
XLogP3.21
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 2760779
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
1-(1-phenyltetrazol-5-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 9292723
5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133358806
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133352551

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (CID 165433334) is 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is FC(F)(F)c1ccc(N2CCN(c3ccc(N4CCCCC4)nn3)CC2)nc1.
What is the InChIKey of 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The InChIKey is BWXKKAPBLUPXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6/c20-19(21,22)15-4-5-16(23-14-15)27-10-12-28(13-11-27)18-7-6-17(24-25-18)26-8-2-1-3-9-26/h4-7,14H,1-3,8-13H2.
What are the key properties of 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine has a molecular weight of 392.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 165433334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).