1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine

C18H30F6N2 — CID 135275097

IUPAC1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine
SMILESCC(C)(C)N1CC(CC(C)(C)N2CC(F)(F)CC(F)(F)C2)CC(F)(F)C1
InChIInChI=1S/C18H30F6N2/c1-14(2,3)25-8-13(7-16(19,20)10-25)6-15(4,5)26-11-17(21,22)9-18(23,24)12-26/h13H,6-12H2,1-5H3
InChIKeyHYFNKJOOMJUAJF-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.89
Rot. Bonds3

About 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine

1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine (PubChem CID 135275097) has the molecular formula C18H30F6N2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine.

Molecular Properties

Compound Name1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine
PubChem CID135275097
Molecular FormulaC18H30F6N2
Molecular Weight388.44 g/mol
Exact Mass388.23
IUPAC Name1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine
SMILESCC(C)(C)N1CC(CC(C)(C)N2CC(F)(F)CC(F)(F)C2)CC(F)(F)C1
InChIInChI=1S/C18H30F6N2/c1-14(2,3)25-8-13(7-16(19,20)10-25)6-15(4,5)26-11-17(21,22)9-18(23,24)12-26/h13H,6-12H2,1-5H3
InChIKeyHYFNKJOOMJUAJF-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine?
The IUPAC name of 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine (CID 135275097) is 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine.
What is the SMILES notation for 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine?
The canonical SMILES for 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine is CC(C)(C)N1CC(CC(C)(C)N2CC(F)(F)CC(F)(F)C2)CC(F)(F)C1.
What is the InChIKey of 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine?
The InChIKey is HYFNKJOOMJUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F6N2/c1-14(2,3)25-8-13(7-16(19,20)10-25)6-15(4,5)26-11-17(21,22)9-18(23,24)12-26/h13H,6-12H2,1-5H3.
What are the key properties of 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine?
1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine has a molecular weight of 388.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butyl-5,5-difluoropiperidin-3-yl)-2-methylpropan-2-yl]-3,3,5,5-tetrafluoropiperidine is sourced from PubChem (CID 135275097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).