(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol

C17H21FN4O — CID 95338968

IUPAC(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
SMILESO[C@@H](CN[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)16(23)11-19-15-3-2-10-22(12-15)17-4-1-9-20-21-17/h1,4-9,15-16,19,23H,2-3,10-12H2/t15-,16+/m1/s1
InChIKeyACOLBAAUDSWFKP-CVEARBPZSA-N
MW316.38 g/mol
LogP1.91
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol

(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol (PubChem CID 95338968) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
PubChem CID95338968
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
SMILESO[C@@H](CN[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)16(23)11-19-15-3-2-10-22(12-15)17-4-1-9-20-21-17/h1,4-9,15-16,19,23H,2-3,10-12H2/t15-,16+/m1/s1
InChIKeyACOLBAAUDSWFKP-CVEARBPZSA-N
XLogP1.91
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol with MolForge

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Related Compounds

(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
CID 95610322
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
2-(4-fluorophenoxy)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide
CID 122137262
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
CID 71933008
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol (CID 95338968) is (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol is O[C@@H](CN[C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol?
The InChIKey is ACOLBAAUDSWFKP-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-7-5-13(6-8-14)16(23)11-19-15-3-2-10-22(12-15)17-4-1-9-20-21-17/h1,4-9,15-16,19,23H,2-3,10-12H2/t15-,16+/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol?
(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol has a molecular weight of 316.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol is sourced from PubChem (CID 95338968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).