1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine

C16H21FN4O — CID 56780589

IUPAC1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFc1ccccc1OCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C16H21FN4O/c17-15-6-1-2-7-16(15)22-10-9-20-8-4-3-5-14(20)11-21-13-18-12-19-21/h1-2,6-7,12-14H,3-5,8-11H2
InChIKeyOYWCUFAUBMBBPD-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine

1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 56780589) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID56780589
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFc1ccccc1OCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C16H21FN4O/c17-15-6-1-2-7-16(15)22-10-9-20-8-4-3-5-14(20)11-21-13-18-12-19-21/h1-2,6-7,12-14H,3-5,8-11H2
InChIKeyOYWCUFAUBMBBPD-UHFFFAOYSA-N
XLogP2.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 56780589) is 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine is Fc1ccccc1OCCN1CCCCC1Cn1cncn1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is OYWCUFAUBMBBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-15-6-1-2-7-16(15)22-10-9-20-8-4-3-5-14(20)11-21-13-18-12-19-21/h1-2,6-7,12-14H,3-5,8-11H2.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 304.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 56780589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).