2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane

C13H24FN3 — CID 167398934

IUPAC2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCN1CCC(F)(CN2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C13H24FN3/c1-15-5-3-13(14,4-6-15)11-17-9-12(10-17)7-16(2)8-12/h3-11H2,1-2H3
InChIKeyCXGPCHCCERIHGX-UHFFFAOYSA-N
MW241.35 g/mol
LogP0.67
Rot. Bonds2

About 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane

2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 167398934) has the molecular formula C13H24FN3 and a molecular weight of 241.35 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID167398934
Molecular FormulaC13H24FN3
Molecular Weight241.35 g/mol
Exact Mass241.20
IUPAC Name2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCN1CCC(F)(CN2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C13H24FN3/c1-15-5-3-13(14,4-6-15)11-17-9-12(10-17)7-16(2)8-12/h3-11H2,1-2H3
InChIKeyCXGPCHCCERIHGX-UHFFFAOYSA-N
XLogP0.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane (CID 167398934) is 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane is CN1CCC(F)(CN2CC3(CN(C)C3)C2)CC1.
What is the InChIKey of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is CXGPCHCCERIHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3/c1-15-5-3-13(14,4-6-15)11-17-9-12(10-17)7-16(2)8-12/h3-11H2,1-2H3.
What are the key properties of 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane?
2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 241.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 167398934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).