4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine

C15H27F3N2 — CID 67977919

IUPAC4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine
SMILESCC(F)(F)CC(F)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H27F3N2/c1-15(17,18)11-13(16)12-19-9-5-14(6-10-19)20-7-3-2-4-8-20/h13-14H,2-12H2,1H3
InChIKeyHVUVYVQOJSTIIS-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.32
Rot. Bonds5

About 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine

4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine (PubChem CID 67977919) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine
PubChem CID67977919
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine
SMILESCC(F)(F)CC(F)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H27F3N2/c1-15(17,18)11-13(16)12-19-9-5-14(6-10-19)20-7-3-2-4-8-20/h13-14H,2-12H2,1H3
InChIKeyHVUVYVQOJSTIIS-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine?
The IUPAC name of 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine (CID 67977919) is 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine is CC(F)(F)CC(F)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine?
The InChIKey is HVUVYVQOJSTIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-15(17,18)11-13(16)12-19-9-5-14(6-10-19)20-7-3-2-4-8-20/h13-14H,2-12H2,1H3.
What are the key properties of 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine?
4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine has a molecular weight of 292.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(2,4,4-trifluoropentyl)piperidine is sourced from PubChem (CID 67977919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).