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

C18H33F2N3 — CID 154671087

IUPAC7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CC2)CN(C)C3)C(F)(F)C1
InChIInChI=1S/C18H33F2N3/c1-15(2)10-23-7-4-16(18(19,20)14-23)11-22-8-5-17(6-9-22)12-21(3)13-17/h15-16H,4-14H2,1-3H3
InChIKeyKBQUSOAZNCNMIL-UHFFFAOYSA-N
MW329.48 g/mol
LogP2.63
Rot. Bonds4

About 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-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 (PubChem CID 154671087) has the molecular formula C18H33F2N3 and a molecular weight of 329.48 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.

Molecular Properties

Compound Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID154671087
Molecular FormulaC18H33F2N3
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CC2)CN(C)C3)C(F)(F)C1
InChIInChI=1S/C18H33F2N3/c1-15(2)10-23-7-4-16(18(19,20)14-23)11-22-8-5-17(6-9-22)12-21(3)13-17/h15-16H,4-14H2,1-3H3
InChIKeyKBQUSOAZNCNMIL-UHFFFAOYSA-N
XLogP2.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 52.63
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-methyl-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 (CID 154671087) is 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-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-methyl-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 is CC(C)CN1CCC(CN2CCC3(CC2)CN(C)C3)C(F)(F)C1.
What is the InChIKey of 7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is KBQUSOAZNCNMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F2N3/c1-15(2)10-23-7-4-16(18(19,20)14-23)11-22-8-5-17(6-9-22)12-21(3)13-17/h15-16H,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?
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 329.48 g/mol, XLogP of 2.63, 4 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-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154671087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).