7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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

C38H70F4N6 — CID 154671595

IUPAC7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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
SMILESCC(C)CN1CCC(CN2CCC3(CC2)CN(C)C3)C(F)(F)C1.CC(C)CN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3.C18H33F2N3/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;1-15(2)10-23-7-4-16(18(19,20)14-23)11-22-8-5-17(6-9-22)12-21(3)13-17/h16-18H,5-15H2,1-4H3;15-16H,4-14H2,1-3H3
InChIKeyFHGWCRATBPMIMK-UHFFFAOYSA-N
MW687.01 g/mol
LogP6.03
Rot. Bonds9

About 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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

7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 154671595) has the molecular formula C38H70F4N6 and a molecular weight of 687.01 g/mol. Its IUPAC name is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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.

Molecular Properties

Compound Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 CID154671595
Molecular FormulaC38H70F4N6
Molecular Weight687.01 g/mol
Exact Mass686.56
IUPAC Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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
SMILESCC(C)CN1CCC(CN2CCC3(CC2)CN(C)C3)C(F)(F)C1.CC(C)CN1CCC(CN2CCC3(CN(C(C)C)C3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3.C18H33F2N3/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;1-15(2)10-23-7-4-16(18(19,20)14-23)11-22-8-5-17(6-9-22)12-21(3)13-17/h16-18H,5-15H2,1-4H3;15-16H,4-14H2,1-3H3
InChIKeyFHGWCRATBPMIMK-UHFFFAOYSA-N
XLogP6.03
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.01
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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?
The IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 (CID 154671595) is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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.
What is the SMILES notation for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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?
The canonical SMILES for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 is CC(C)CN1CCC(CN2CCC3(CC2)CN(C)C3)C(F)(F)C1.CC(C)CN1CCC(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-methyl-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?
The InChIKey is FHGWCRATBPMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2N3.C18H33F2N3/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;1-15(2)10-23-7-4-16(18(19,20)14-23)11-22-8-5-17(6-9-22)12-21(3)13-17/h16-18H,5-15H2,1-4H3;15-16H,4-14H2,1-3H3.
What are the key properties of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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?
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 687.01 g/mol, XLogP of 6.03, 9 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-methyl-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 is sourced from PubChem (CID 154671595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).