3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine

C18H24FN3O2 — CID 132764280

IUPAC3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCOC1(COc2ccc(F)cc2)CCCN(Cc2nc[nH]c2C)C1
InChIInChI=1S/C18H24FN3O2/c1-14-17(21-13-20-14)10-22-9-3-8-18(11-22,23-2)12-24-16-6-4-15(19)5-7-16/h4-7,13H,3,8-12H2,1-2H3,(H,20,21)
InChIKeyASEYVYISYNDGPL-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.92
Rot. Bonds6

About 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine

3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (PubChem CID 132764280) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
PubChem CID132764280
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCOC1(COc2ccc(F)cc2)CCCN(Cc2nc[nH]c2C)C1
InChIInChI=1S/C18H24FN3O2/c1-14-17(21-13-20-14)10-22-9-3-8-18(11-22,23-2)12-24-16-6-4-15(19)5-7-16/h4-7,13H,3,8-12H2,1-2H3,(H,20,21)
InChIKeyASEYVYISYNDGPL-UHFFFAOYSA-N
XLogP2.92
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (CID 132764280) is 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is COC1(COc2ccc(F)cc2)CCCN(Cc2nc[nH]c2C)C1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The InChIKey is ASEYVYISYNDGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-14-17(21-13-20-14)10-22-9-3-8-18(11-22,23-2)12-24-16-6-4-15(19)5-7-16/h4-7,13H,3,8-12H2,1-2H3,(H,20,21).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine has a molecular weight of 333.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 132764280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).