4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine

C16H25F3N4 — CID 46989896

IUPAC4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine
SMILESFC(F)(F)CCCN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H25F3N4/c17-16(18,19)8-3-9-22-10-6-14(7-11-22)23-12-15(20-21-23)13-4-1-2-5-13/h12-14H,1-11H2
InChIKeyNBDXEDPYQCSIJN-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.92
Rot. Bonds5

About 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine

4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine (PubChem CID 46989896) has the molecular formula C16H25F3N4 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine
PubChem CID46989896
Molecular FormulaC16H25F3N4
Molecular Weight330.40 g/mol
Exact Mass330.20
IUPAC Name4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine
SMILESFC(F)(F)CCCN1CCC(n2cc(C3CCCC3)nn2)CC1
InChIInChI=1S/C16H25F3N4/c17-16(18,19)8-3-9-22-10-6-14(7-11-22)23-12-15(20-21-23)13-4-1-2-5-13/h12-14H,1-11H2
InChIKeyNBDXEDPYQCSIJN-UHFFFAOYSA-N
XLogP3.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine?
The IUPAC name of 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine (CID 46989896) is 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine.
What is the SMILES notation for 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine?
The canonical SMILES for 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine is FC(F)(F)CCCN1CCC(n2cc(C3CCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine?
The InChIKey is NBDXEDPYQCSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4/c17-16(18,19)8-3-9-22-10-6-14(7-11-22)23-12-15(20-21-23)13-4-1-2-5-13/h12-14H,1-11H2.
What are the key properties of 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine?
4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine has a molecular weight of 330.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyltriazol-1-yl)-1-(4,4,4-trifluorobutyl)piperidine is sourced from PubChem (CID 46989896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).