trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol

C20H25FN4O — CID 146146695

IUPACtrans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol
SMILESCc1cc(-c2cccc(F)c2)nnc1N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C20H25FN4O/c1-14-12-17(15-4-2-5-16(21)13-15)22-23-20(14)25-10-8-24(9-11-25)18-6-3-7-19(18)26/h2,4-5,12-13,18-19,26H,3,6-11H2,1H3/t18-,19-/m1/s1
InChIKeyBNJVCPUXLYYXQU-RTBURBONSA-N
MW356.44 g/mol
LogP2.63
Rot. Bonds3

About trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol

trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol (PubChem CID 146146695) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol
PubChem CID146146695
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Nametrans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol
SMILESCc1cc(-c2cccc(F)c2)nnc1N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C20H25FN4O/c1-14-12-17(15-4-2-5-16(21)13-15)22-23-20(14)25-10-8-24(9-11-25)18-6-3-7-19(18)26/h2,4-5,12-13,18-19,26H,3,6-11H2,1H3/t18-,19-/m1/s1
InChIKeyBNJVCPUXLYYXQU-RTBURBONSA-N
XLogP2.63
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol (CID 146146695) is trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol is Cc1cc(-c2cccc(F)c2)nnc1N1CCN([C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol?
The InChIKey is BNJVCPUXLYYXQU-RTBURBONSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-12-17(15-4-2-5-16(21)13-15)22-23-20(14)25-10-8-24(9-11-25)18-6-3-7-19(18)26/h2,4-5,12-13,18-19,26H,3,6-11H2,1H3/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol?
trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol has a molecular weight of 356.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]piperazin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 146146695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).