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

C21H41F2N3 — CID 154671242

IUPAC7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.CCN1CC2(CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)C1
InChIInChI=1S/C19H35F2N3.C2H6/c1-4-22-13-18(14-22)6-9-23(10-7-18)12-17-5-8-24(11-16(2)3)15-19(17,20)21;1-2/h16-17H,4-15H2,1-3H3;1-2H3
InChIKeyZIFLPEXRHYOUAT-UHFFFAOYSA-N
MW373.58 g/mol
LogP4.04
Rot. Bonds5

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

7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane (PubChem CID 154671242) has the molecular formula C21H41F2N3 and a molecular weight of 373.58 g/mol. Its IUPAC name is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane
PubChem CID154671242
Molecular FormulaC21H41F2N3
Molecular Weight373.58 g/mol
Exact Mass373.33
IUPAC Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.CCN1CC2(CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)C1
InChIInChI=1S/C19H35F2N3.C2H6/c1-4-22-13-18(14-22)6-9-23(10-7-18)12-17-5-8-24(11-16(2)3)15-19(17,20)21;1-2/h16-17H,4-15H2,1-3H3;1-2H3
InChIKeyZIFLPEXRHYOUAT-UHFFFAOYSA-N
XLogP4.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-ethyl-2,7-diazaspiro[3.5]nonane;ethane?
The IUPAC name of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane (CID 154671242) is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane.
What is the SMILES notation for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane?
The canonical SMILES for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane is CC.CCN1CC2(CCN(CC3CCN(CC(C)C)CC3(F)F)CC2)C1.
What is the InChIKey of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane?
The InChIKey is ZIFLPEXRHYOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2N3.C2H6/c1-4-22-13-18(14-22)6-9-23(10-7-18)12-17-5-8-24(11-16(2)3)15-19(17,20)21;1-2/h16-17H,4-15H2,1-3H3;1-2H3.
What are the key properties of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane?
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane has a molecular weight of 373.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane;ethane is sourced from PubChem (CID 154671242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).