5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane

C20H37F2N3 — CID 154671596

IUPAC5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3/c1-16(2)11-23-8-5-18(6-9-23)12-24-10-7-19(20(21,22)15-24)13-25(14-19)17(3)4/h16-18H,5-15H2,1-4H3
InChIKeyDDKVCWVABYLDSX-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.41
Rot. Bonds5

About 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane

5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 154671596) has the molecular formula C20H37F2N3 and a molecular weight of 357.53 g/mol. Its IUPAC name is 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID154671596
Molecular FormulaC20H37F2N3
Molecular Weight357.53 g/mol
Exact Mass357.30
IUPAC Name5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3/c1-16(2)11-23-8-5-18(6-9-23)12-24-10-7-19(20(21,22)15-24)13-25(14-19)17(3)4/h16-18H,5-15H2,1-4H3
InChIKeyDDKVCWVABYLDSX-UHFFFAOYSA-N
XLogP3.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 154671596) is 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane is CC(C)CN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1.
What is the InChIKey of 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is DDKVCWVABYLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2N3/c1-16(2)11-23-8-5-18(6-9-23)12-24-10-7-19(20(21,22)15-24)13-25(14-19)17(3)4/h16-18H,5-15H2,1-4H3.
What are the key properties of 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane?
5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 357.53 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).