1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

C16H19F2N3O — CID 11438223

IUPAC1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESFc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)c(F)c1
InChIInChI=1S/C16H19F2N3O/c17-13-2-1-12(16(18)7-13)9-21-5-3-15(4-6-21)22-10-14-8-19-11-20-14/h1-2,7-8,11,15H,3-6,9-10H2,(H,19,20)
InChIKeyNJAOCTJLJGTWQJ-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.87
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11438223) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11438223
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESFc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)c(F)c1
InChIInChI=1S/C16H19F2N3O/c17-13-2-1-12(16(18)7-13)9-21-5-3-15(4-6-21)22-10-14-8-19-11-20-14/h1-2,7-8,11,15H,3-6,9-10H2,(H,19,20)
InChIKeyNJAOCTJLJGTWQJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11438223) is 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is Fc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is NJAOCTJLJGTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-13-2-1-12(16(18)7-13)9-21-5-3-15(4-6-21)22-10-14-8-19-11-20-14/h1-2,7-8,11,15H,3-6,9-10H2,(H,19,20).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 307.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11438223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).