[2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C14H15FN4O — CID 91841560

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C14H15FN4O/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)13-16-9-17-18-13/h4-7,9,12H,1-3,8H2,(H,16,17,18)
InChIKeyZKTLEYSWHQNCAN-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.31
Rot. Bonds2

About [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 91841560) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID91841560
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C14H15FN4O/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)13-16-9-17-18-13/h4-7,9,12H,1-3,8H2,(H,16,17,18)
InChIKeyZKTLEYSWHQNCAN-UHFFFAOYSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 91841560) is [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is ZKTLEYSWHQNCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)13-16-9-17-18-13/h4-7,9,12H,1-3,8H2,(H,16,17,18).
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 274.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 91841560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).