1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol

C19H25FN4O — CID 111565070

IUPAC1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCC(N(C)c2cccnn2)CC1
InChIInChI=1S/C19H25FN4O/c1-14-12-15(20)5-6-17(14)18(25)13-24-10-7-16(8-11-24)23(2)19-4-3-9-21-22-19/h3-6,9,12,16,18,25H,7-8,10-11,13H2,1-2H3
InChIKeyHBXAWGJWKPJBIG-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol (PubChem CID 111565070) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
PubChem CID111565070
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCC(N(C)c2cccnn2)CC1
InChIInChI=1S/C19H25FN4O/c1-14-12-15(20)5-6-17(14)18(25)13-24-10-7-16(8-11-24)23(2)19-4-3-9-21-22-19/h3-6,9,12,16,18,25H,7-8,10-11,13H2,1-2H3
InChIKeyHBXAWGJWKPJBIG-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111105247
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
CID 111565154
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111564899
N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine
CID 133372358
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 111564930
1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780017
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
CID 133460399
N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine
CID 136548916
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
5-chloro-2-[[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 167927928

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol (CID 111565070) is 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol is Cc1cc(F)ccc1C(O)CN1CCC(N(C)c2cccnn2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is HBXAWGJWKPJBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-12-15(20)5-6-17(14)18(25)13-24-10-7-16(8-11-24)23(2)19-4-3-9-21-22-19/h3-6,9,12,16,18,25H,7-8,10-11,13H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 344.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 111565070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).