[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

C17H21FN4O2 — CID 25451644

IUPAC[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)CC1
InChIInChI=1S/C17H21FN4O2/c1-24-12-13-6-8-21(9-7-13)17(23)16-11-22(20-19-16)10-14-4-2-3-5-15(14)18/h2-5,11,13H,6-10,12H2,1H3
InChIKeyCEGBJEQJVWHNHA-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.96
Rot. Bonds5

About [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 25451644) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID25451644
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)CC1
InChIInChI=1S/C17H21FN4O2/c1-24-12-13-6-8-21(9-7-13)17(23)16-11-22(20-19-16)10-14-4-2-3-5-15(14)18/h2-5,11,13H,6-10,12H2,1H3
InChIKeyCEGBJEQJVWHNHA-UHFFFAOYSA-N
XLogP1.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 25451644) is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cn(Cc3ccccc3F)nn2)CC1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is CEGBJEQJVWHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-24-12-13-6-8-21(9-7-13)17(23)16-11-22(20-19-16)10-14-4-2-3-5-15(14)18/h2-5,11,13H,6-10,12H2,1H3.
What are the key properties of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 332.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25451644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).