9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane

C23H41F4N3 — CID 176558524

IUPAC9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)CN1CCC2(CCN(C3CCN(CC(C)C)CC3(F)F)CC2)C(F)(F)C1
InChIInChI=1S/C23H41F4N3/c1-5-19(4)15-29-11-7-21(23(26,27)17-29)8-12-30(13-9-21)20-6-10-28(14-18(2)3)16-22(20,24)25/h18-20H,5-17H2,1-4H3
InChIKeyYMMOUWPKOFSWDY-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.82
Rot. Bonds6

About 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane

9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 176558524) has the molecular formula C23H41F4N3 and a molecular weight of 435.59 g/mol. Its IUPAC name is 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane
PubChem CID176558524
Molecular FormulaC23H41F4N3
Molecular Weight435.59 g/mol
Exact Mass435.32
IUPAC Name9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane
SMILESCCC(C)CN1CCC2(CCN(C3CCN(CC(C)C)CC3(F)F)CC2)C(F)(F)C1
InChIInChI=1S/C23H41F4N3/c1-5-19(4)15-29-11-7-21(23(26,27)17-29)8-12-30(13-9-21)20-6-10-28(14-18(2)3)16-22(20,24)25/h18-20H,5-17H2,1-4H3
InChIKeyYMMOUWPKOFSWDY-UHFFFAOYSA-N
XLogP4.82
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane (CID 176558524) is 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane is CCC(C)CN1CCC2(CCN(C3CCN(CC(C)C)CC3(F)F)CC2)C(F)(F)C1.
What is the InChIKey of 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is YMMOUWPKOFSWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41F4N3/c1-5-19(4)15-29-11-7-21(23(26,27)17-29)8-12-30(13-9-21)20-6-10-28(14-18(2)3)16-22(20,24)25/h18-20H,5-17H2,1-4H3.
What are the key properties of 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane?
9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 435.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-5,5-difluoro-3-(2-methylbutyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 176558524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).