4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine

C10H16F2N4 — CID 59287293

IUPAC4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
SMILESCc1nnc(C(C)(F)F)n1C1CCNCC1
InChIInChI=1S/C10H16F2N4/c1-7-14-15-9(10(2,11)12)16(7)8-3-5-13-6-4-8/h8,13H,3-6H2,1-2H3
InChIKeyIFHXHGQDNKQTJL-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.62
Rot. Bonds2

About 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine

4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine (PubChem CID 59287293) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
PubChem CID59287293
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine
SMILESCc1nnc(C(C)(F)F)n1C1CCNCC1
InChIInChI=1S/C10H16F2N4/c1-7-14-15-9(10(2,11)12)16(7)8-3-5-13-6-4-8/h8,13H,3-6H2,1-2H3
InChIKeyIFHXHGQDNKQTJL-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine?
The IUPAC name of 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine (CID 59287293) is 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine is Cc1nnc(C(C)(F)F)n1C1CCNCC1.
What is the InChIKey of 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine?
The InChIKey is IFHXHGQDNKQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-7-14-15-9(10(2,11)12)16(7)8-3-5-13-6-4-8/h8,13H,3-6H2,1-2H3.
What are the key properties of 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine?
4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine has a molecular weight of 230.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidine is sourced from PubChem (CID 59287293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).