4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine

C15H22F2N4 — CID 167916205

IUPAC4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine
SMILESFC1(F)CC2(CC(c3cn(CC4CCNCC4)nn3)C2)C1
InChIInChI=1S/C15H22F2N4/c16-15(17)9-14(10-15)5-12(6-14)13-8-21(20-19-13)7-11-1-3-18-4-2-11/h8,11-12,18H,1-7,9-10H2
InChIKeyBFNCJSIDNMSUAA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds3

About 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine

4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine (PubChem CID 167916205) has the molecular formula C15H22F2N4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine
PubChem CID167916205
Molecular FormulaC15H22F2N4
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine
SMILESFC1(F)CC2(CC(c3cn(CC4CCNCC4)nn3)C2)C1
InChIInChI=1S/C15H22F2N4/c16-15(17)9-14(10-15)5-12(6-14)13-8-21(20-19-13)7-11-1-3-18-4-2-11/h8,11-12,18H,1-7,9-10H2
InChIKeyBFNCJSIDNMSUAA-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine (CID 167916205) is 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine is FC1(F)CC2(CC(c3cn(CC4CCNCC4)nn3)C2)C1.
What is the InChIKey of 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine?
The InChIKey is BFNCJSIDNMSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4/c16-15(17)9-14(10-15)5-12(6-14)13-8-21(20-19-13)7-11-1-3-18-4-2-11/h8,11-12,18H,1-7,9-10H2.
What are the key properties of 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine?
4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine has a molecular weight of 296.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2-difluorospiro[3.3]heptan-6-yl)triazol-1-yl]methyl]piperidine is sourced from PubChem (CID 167916205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).