1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

C16H20FN3O — CID 11312296

IUPAC1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESFc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H20FN3O/c17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-4,9,12,16H,5-8,10-11H2,(H,18,19)
InChIKeyMRMPPKRGYYWSJS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.73
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11312296) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11312296
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESFc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C16H20FN3O/c17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-4,9,12,16H,5-8,10-11H2,(H,18,19)
InChIKeyMRMPPKRGYYWSJS-UHFFFAOYSA-N
XLogP2.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11312296) is 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is Fc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is MRMPPKRGYYWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-3-1-13(2-4-14)10-20-7-5-16(6-8-20)21-11-15-9-18-12-19-15/h1-4,9,12,16H,5-8,10-11H2,(H,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 289.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).