1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine

C20H26FN3O — CID 56704656

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine
SMILESCOc1cccc(CN2CCN(c3cccc(C(C)C)n3)CC2)c1F
InChIInChI=1S/C20H26FN3O/c1-15(2)17-7-5-9-19(22-17)24-12-10-23(11-13-24)14-16-6-4-8-18(25-3)20(16)21/h4-9,15H,10-14H2,1-3H3
InChIKeyYUVXEWAETKZJIJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.67
Rot. Bonds5

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine

1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 56704656) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine
PubChem CID56704656
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine
SMILESCOc1cccc(CN2CCN(c3cccc(C(C)C)n3)CC2)c1F
InChIInChI=1S/C20H26FN3O/c1-15(2)17-7-5-9-19(22-17)24-12-10-23(11-13-24)14-16-6-4-8-18(25-3)20(16)21/h4-9,15H,10-14H2,1-3H3
InChIKeyYUVXEWAETKZJIJ-UHFFFAOYSA-N
XLogP3.67
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine (CID 56704656) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine is COc1cccc(CN2CCN(c3cccc(C(C)C)n3)CC2)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is YUVXEWAETKZJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-15(2)17-7-5-9-19(22-17)24-12-10-23(11-13-24)14-16-6-4-8-18(25-3)20(16)21/h4-9,15H,10-14H2,1-3H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine?
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 343.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(6-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 56704656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).