3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine

C19H29F3N4 — CID 11660708

IUPAC3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC(C)N1CCC(CC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1
InChIInChI=1S/C19H29F3N4/c1-14(2)25-9-5-15(6-10-25)13-16-7-11-26(12-8-16)18-4-3-17(23-24-18)19(20,21)22/h3-4,14-16H,5-13H2,1-2H3
InChIKeyODDJOPMQRIDYJJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.22
Rot. Bonds4

About 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 11660708) has the molecular formula C19H29F3N4 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID11660708
Molecular FormulaC19H29F3N4
Molecular Weight370.46 g/mol
Exact Mass370.23
IUPAC Name3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC(C)N1CCC(CC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1
InChIInChI=1S/C19H29F3N4/c1-14(2)25-9-5-15(6-10-25)13-16-7-11-26(12-8-16)18-4-3-17(23-24-18)19(20,21)22/h3-4,14-16H,5-13H2,1-2H3
InChIKeyODDJOPMQRIDYJJ-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-37822681
CID 16058752
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine;hydrochloride
CID 45261500
3-Pyridazinamine, N-(1-((3,4-difluorophenyl)methyl)-4-piperidinyl)-6-(trifluoromethyl)-, hydrochloride (1:2)
CID 91826482
3-(6-Phenylpyridazin-3-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134790893
3-(4-Methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 71528380
N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 71528502
R 66703
CID 130360
3-Phenyl-6-piperidin-1-ylpyridazine
CID 12440092
4-Methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
CID 13218685
3-(4-Cyclohexylpiperazin-1-yl)-4-methyl-6-phenylpyridazine
CID 44430419
3-[6-(4-Methylpiperidin-1-yl)pyridazin-3-yl]aniline
CID 24252611

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 11660708) is 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine is CC(C)N1CCC(CC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1.
What is the InChIKey of 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is ODDJOPMQRIDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N4/c1-14(2)25-9-5-15(6-10-25)13-16-7-11-26(12-8-16)18-4-3-17(23-24-18)19(20,21)22/h3-4,14-16H,5-13H2,1-2H3.
What are the key properties of 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 370.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 11660708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).