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

C8H13FN4 — CID 130861220

IUPAC4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1(F)CCNCC1
InChIInChI=1S/C8H13FN4/c1-13-6-11-12-7(13)8(9)2-4-10-5-3-8/h6,10H,2-5H2,1H3
InChIKeyZUZCYJRNMUBZQM-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.36
Rot. Bonds1

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

4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 130861220) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID130861220
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1(F)CCNCC1
InChIInChI=1S/C8H13FN4/c1-13-6-11-12-7(13)8(9)2-4-10-5-3-8/h6,10H,2-5H2,1H3
InChIKeyZUZCYJRNMUBZQM-UHFFFAOYSA-N
XLogP0.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-methyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 165871877
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-ethyl-3-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65979590
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 130861220) is 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is ZUZCYJRNMUBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c1-13-6-11-12-7(13)8(9)2-4-10-5-3-8/h6,10H,2-5H2,1H3.
What are the key properties of 4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 184.22 g/mol, XLogP of 0.36, 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 is sourced from PubChem (CID 130861220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).