3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine

C10H17FN4 — CID 112562949

IUPAC3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine
SMILESCCn1ncnc1CC1(F)CCCNC1
InChIInChI=1S/C10H17FN4/c1-2-15-9(13-8-14-15)6-10(11)4-3-5-12-7-10/h8,12H,2-7H2,1H3
InChIKeyNIZPAYYYDFBKNZ-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.93
Rot. Bonds3

About 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine

3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine (PubChem CID 112562949) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine
PubChem CID112562949
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine
SMILESCCn1ncnc1CC1(F)CCCNC1
InChIInChI=1S/C10H17FN4/c1-2-15-9(13-8-14-15)6-10(11)4-3-5-12-7-10/h8,12H,2-7H2,1H3
InChIKeyNIZPAYYYDFBKNZ-UHFFFAOYSA-N
XLogP0.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine (CID 112562949) is 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine is CCn1ncnc1CC1(F)CCCNC1.
What is the InChIKey of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine?
The InChIKey is NIZPAYYYDFBKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-2-15-9(13-8-14-15)6-10(11)4-3-5-12-7-10/h8,12H,2-7H2,1H3.
What are the key properties of 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine?
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine has a molecular weight of 212.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 112562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).