3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine

C8H13FN4 — CID 84659620

IUPAC3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFC1(Cn2cncn2)CCCNC1
InChIInChI=1S/C8H13FN4/c9-8(2-1-3-10-4-8)5-13-7-11-6-12-13/h6-7,10H,1-5H2
InChIKeyIPJVQRSOOXGAHI-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.37
Rot. Bonds2

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

3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 84659620) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID84659620
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFC1(Cn2cncn2)CCCNC1
InChIInChI=1S/C8H13FN4/c9-8(2-1-3-10-4-8)5-13-7-11-6-12-13/h6-7,10H,1-5H2
InChIKeyIPJVQRSOOXGAHI-UHFFFAOYSA-N
XLogP0.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-1,2,4-triazol-1-yl)piperidine
CID 19005989
3-((1H-1,2,4-triazol-1-yl)methyl)piperidine dihydrochloride
CID 50988264
4-(1H-1,2,4-triazol-1-ylmethyl)piperidine
CID 56828881
4-[(1H-1,2,4-triazol-1-yl)methyl]piperidine dihydrochloride
CID 71778949
4-(1H-1,2,4-Triazol-1-yl)piperidine
CID 23532625
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
2-(1H-1,2,4-triazol-1-ylmethyl)piperidine
CID 54592631
1-[2-(piperidin-4-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 177800989
3-Fluoro-4-(1,2,4-triazol-4-yl)piperidine
CID 124189140
3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 75448673
3-[[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]methyl]piperidine
CID 84037655
1-[(3-Fluoropyrrolidin-3-yl)methyl]-1,2,4-triazole
CID 84653787

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine (CID 84659620) is 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine is FC1(Cn2cncn2)CCCNC1.
What is the InChIKey of 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is IPJVQRSOOXGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c9-8(2-1-3-10-4-8)5-13-7-11-6-12-13/h6-7,10H,1-5H2.
What are the key properties of 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine?
3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 184.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 84659620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).