1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine

C18H24FN3O — CID 126490990

IUPAC1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine
SMILESCOC1=C(N2CCNCC2)C=C(c2ccccc2)C(CF)N1C
InChIInChI=1S/C18H24FN3O/c1-21-17(13-19)15(14-6-4-3-5-7-14)12-16(18(21)23-2)22-10-8-20-9-11-22/h3-7,12,17,20H,8-11,13H2,1-2H3
InChIKeyVMKOXQPYETWLCB-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine

1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine (PubChem CID 126490990) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine
PubChem CID126490990
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine
SMILESCOC1=C(N2CCNCC2)C=C(c2ccccc2)C(CF)N1C
InChIInChI=1S/C18H24FN3O/c1-21-17(13-19)15(14-6-4-3-5-7-14)12-16(18(21)23-2)22-10-8-20-9-11-22/h3-7,12,17,20H,8-11,13H2,1-2H3
InChIKeyVMKOXQPYETWLCB-UHFFFAOYSA-N
XLogP2.07
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine?
The IUPAC name of 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine (CID 126490990) is 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine.
What is the SMILES notation for 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine?
The canonical SMILES for 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine is COC1=C(N2CCNCC2)C=C(c2ccccc2)C(CF)N1C.
What is the InChIKey of 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine?
The InChIKey is VMKOXQPYETWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-21-17(13-19)15(14-6-4-3-5-7-14)12-16(18(21)23-2)22-10-8-20-9-11-22/h3-7,12,17,20H,8-11,13H2,1-2H3.
What are the key properties of 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine?
1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine has a molecular weight of 317.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-6-methoxy-1-methyl-3-phenyl-2H-pyridin-5-yl]piperazine is sourced from PubChem (CID 126490990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).