7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane

C39H72F4N6 — CID 166466680

IUPAC7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C(F)(F)C1.CCCN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3.C19H35F2N3/c1-16(2)11-24-8-5-18(20(21,22)15-24)12-23-9-6-19(7-10-23)13-25(14-19)17(3)4;1-4-8-22-9-5-17(6-10-22)12-23-11-7-18(19(20,21)15-23)13-24(14-18)16(2)3/h16-18H,5-15H2,1-4H3;16-17H,4-15H2,1-3H3
InChIKeyMKJSXOVSWCCBLY-UHFFFAOYSA-N
MW701.04 g/mol
LogP6.57
Rot. Bonds10

About 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane

7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 166466680) has the molecular formula C39H72F4N6 and a molecular weight of 701.04 g/mol. Its IUPAC name is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID166466680
Molecular FormulaC39H72F4N6
Molecular Weight701.04 g/mol
Exact Mass700.58
IUPAC Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C(F)(F)C1.CCCN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3.C19H35F2N3/c1-16(2)11-24-8-5-18(20(21,22)15-24)12-23-9-6-19(7-10-23)13-25(14-19)17(3)4;1-4-8-22-9-5-17(6-10-22)12-23-11-7-18(19(20,21)15-23)13-24(14-18)16(2)3/h16-18H,5-15H2,1-4H3;16-17H,4-15H2,1-3H3
InChIKeyMKJSXOVSWCCBLY-UHFFFAOYSA-N
XLogP6.57
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.04
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 166466680) is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane is CC(C)CN1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C(F)(F)C1.CCCN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1.
What is the InChIKey of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is MKJSXOVSWCCBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2N3.C19H35F2N3/c1-16(2)11-24-8-5-18(20(21,22)15-24)12-23-9-6-19(7-10-23)13-25(14-19)17(3)4;1-4-8-22-9-5-17(6-10-22)12-23-11-7-18(19(20,21)15-23)13-24(14-18)16(2)3/h16-18H,5-15H2,1-4H3;16-17H,4-15H2,1-3H3.
What are the key properties of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane?
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 701.04 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 166466680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).