4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine

C21H23FN4 — CID 71762537

IUPAC4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine
SMILESCCc1nnc(C2CCN(c3ccccc3)CC2)n1-c1ccccc1F
InChIInChI=1S/C21H23FN4/c1-2-20-23-24-21(26(20)19-11-7-6-10-18(19)22)16-12-14-25(15-13-16)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3
InChIKeyNWONMQTVCXNTJJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.35
Rot. Bonds4

About 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine

4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine (PubChem CID 71762537) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine.

Molecular Properties

Compound Name4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine
PubChem CID71762537
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine
SMILESCCc1nnc(C2CCN(c3ccccc3)CC2)n1-c1ccccc1F
InChIInChI=1S/C21H23FN4/c1-2-20-23-24-21(26(20)19-11-7-6-10-18(19)22)16-12-14-25(15-13-16)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3
InChIKeyNWONMQTVCXNTJJ-UHFFFAOYSA-N
XLogP4.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine?
The IUPAC name of 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine (CID 71762537) is 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine.
What is the SMILES notation for 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine?
The canonical SMILES for 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine is CCc1nnc(C2CCN(c3ccccc3)CC2)n1-c1ccccc1F.
What is the InChIKey of 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine?
The InChIKey is NWONMQTVCXNTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-2-20-23-24-21(26(20)19-11-7-6-10-18(19)22)16-12-14-25(15-13-16)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3.
What are the key properties of 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine?
4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine has a molecular weight of 350.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine is sourced from PubChem (CID 71762537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).