4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine

C8H12F2N4 — CID 174285600

IUPAC4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine
SMILESFC(F)c1ncn(C2CCNCC2)n1
InChIInChI=1S/C8H12F2N4/c9-7(10)8-12-5-14(13-8)6-1-3-11-4-2-6/h5-7,11H,1-4H2
InChIKeyZZYUSOBROMBKEU-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.14
Rot. Bonds2

About 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine

4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine (PubChem CID 174285600) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine
PubChem CID174285600
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine
SMILESFC(F)c1ncn(C2CCNCC2)n1
InChIInChI=1S/C8H12F2N4/c9-7(10)8-12-5-14(13-8)6-1-3-11-4-2-6/h5-7,11H,1-4H2
InChIKeyZZYUSOBROMBKEU-UHFFFAOYSA-N
XLogP1.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224
4-(dimethyl-1H-1,2,4-triazol-1-yl)piperidine
CID 61346563
3-methyl-1-(piperidin-4-yl)-1H-1,2,4-triazol-5-amine
CID 137965613
5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-7-amine dihydrochloride
CID 145874290
4-[3-(Propan-2-YL)-4H-1,2,4-triazol-4-YL]piperidine
CID 83280667
4-[3-Methyl-5-(propan-2-yl)-1H-1,2,4-triazol-1-yl]piperidine
CID 71428336
(2S)-2-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 131942532
4-[3-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 52988033
4-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidin
CID 59287293
cis-(1R,5S)-3,3-difluoro-5-(3-methyl-1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 67491054

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine?
The IUPAC name of 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine (CID 174285600) is 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine.
What is the SMILES notation for 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine?
The canonical SMILES for 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine is FC(F)c1ncn(C2CCNCC2)n1.
What is the InChIKey of 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine?
The InChIKey is ZZYUSOBROMBKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-7(10)8-12-5-14(13-8)6-1-3-11-4-2-6/h5-7,11H,1-4H2.
What are the key properties of 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine?
4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine has a molecular weight of 202.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1,2,4-triazol-1-yl]piperidine is sourced from PubChem (CID 174285600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).