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

C16H21FN4 — CID 50961252

IUPAC1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCc1nc(CCN2CCCCC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-13-18-16(9-12-20-10-3-2-4-11-20)21(19-13)15-7-5-14(17)6-8-15/h5-8H,2-4,9-12H2,1H3
InChIKeyDFVZYJUZAAHMAJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.74
Rot. Bonds4

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

1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine (PubChem CID 50961252) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine
PubChem CID50961252
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCc1nc(CCN2CCCCC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-13-18-16(9-12-20-10-3-2-4-11-20)21(19-13)15-7-5-14(17)6-8-15/h5-8H,2-4,9-12H2,1H3
InChIKeyDFVZYJUZAAHMAJ-UHFFFAOYSA-N
XLogP2.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine (CID 50961252) is 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine is Cc1nc(CCN2CCCCC2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine?
The InChIKey is DFVZYJUZAAHMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-13-18-16(9-12-20-10-3-2-4-11-20)21(19-13)15-7-5-14(17)6-8-15/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine?
1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine has a molecular weight of 288.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethyl]piperidine is sourced from PubChem (CID 50961252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).