(2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

C16H18FN3O — CID 52992546

IUPAC(2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H18FN3O/c17-15-4-2-1-3-14(15)16(21)20-8-5-13(6-9-20)11-19-10-7-18-12-19/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyMUZRCEBYEYPLET-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.57
Rot. Bonds3

About (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

(2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 52992546) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID52992546
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H18FN3O/c17-15-4-2-1-3-14(15)16(21)20-8-5-13(6-9-20)11-19-10-7-18-12-19/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyMUZRCEBYEYPLET-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 52992546) is (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is MUZRCEBYEYPLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-15-4-2-1-3-14(15)16(21)20-8-5-13(6-9-20)11-19-10-7-18-12-19/h1-4,7,10,12-13H,5-6,8-9,11H2.
What are the key properties of (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 52992546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).