2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol

C18H22F2N4O — CID 95897732

IUPAC2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
SMILESCc1ccc(N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)nn1
InChIInChI=1S/C18H22F2N4O/c1-13-2-5-18(22-21-13)24-8-7-23(15(12-24)6-9-25)11-14-3-4-16(19)17(20)10-14/h2-5,10,15,25H,6-9,11-12H2,1H3/t15-/m1/s1
InChIKeyHKOCCWDCTFSBGA-OAHLLOKOSA-N
MW348.40 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol

2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol (PubChem CID 95897732) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
PubChem CID95897732
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
SMILESCc1ccc(N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)nn1
InChIInChI=1S/C18H22F2N4O/c1-13-2-5-18(22-21-13)24-8-7-23(15(12-24)6-9-25)11-14-3-4-16(19)17(20)10-14/h2-5,10,15,25H,6-9,11-12H2,1H3/t15-/m1/s1
InChIKeyHKOCCWDCTFSBGA-OAHLLOKOSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol (CID 95897732) is 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol is Cc1ccc(N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)nn1.
What is the InChIKey of 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol?
The InChIKey is HKOCCWDCTFSBGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-13-2-5-18(22-21-13)24-8-7-23(15(12-24)6-9-25)11-14-3-4-16(19)17(20)10-14/h2-5,10,15,25H,6-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol has a molecular weight of 348.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95897732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).