4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

C8H14ClFN4 — CID 170931641

IUPAC4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCl.Cn1cnnc1C1(F)CCNCC1
InChIInChI=1S/C8H13FN4.ClH/c1-13-6-11-12-7(13)8(9)2-4-10-5-3-8;/h6,10H,2-5H2,1H3;1H
InChIKeyVKQIKRZOHSKRGI-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.79
Rot. Bonds1

About 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride

4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (PubChem CID 170931641) has the molecular formula C8H14ClFN4 and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
PubChem CID170931641
Molecular FormulaC8H14ClFN4
Molecular Weight220.68 g/mol
Exact Mass220.09
IUPAC Name4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
SMILESCl.Cn1cnnc1C1(F)CCNCC1
InChIInChI=1S/C8H13FN4.ClH/c1-13-6-11-12-7(13)8(9)2-4-10-5-3-8;/h6,10H,2-5H2,1H3;1H
InChIKeyVKQIKRZOHSKRGI-UHFFFAOYSA-N
XLogP0.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride (CID 170931641) is 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is Cl.Cn1cnnc1C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
The InChIKey is VKQIKRZOHSKRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4.ClH/c1-13-6-11-12-7(13)8(9)2-4-10-5-3-8;/h6,10H,2-5H2,1H3;1H.
What are the key properties of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride?
4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride has a molecular weight of 220.68 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 170931641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).