2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane

C16H31N3 — CID 169319615

IUPAC2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC(CCN2CCC3(CC2)CN(C)C3)CC1
InChIInChI=1S/C16H31N3/c1-17-8-3-15(4-9-17)5-10-19-11-6-16(7-12-19)13-18(2)14-16/h15H,3-14H2,1-2H3
InChIKeyVRAXRIINRFDJKX-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane

2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 169319615) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
PubChem CID169319615
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC(CCN2CCC3(CC2)CN(C)C3)CC1
InChIInChI=1S/C16H31N3/c1-17-8-3-15(4-9-17)5-10-19-11-6-16(7-12-19)13-18(2)14-16/h15H,3-14H2,1-2H3
InChIKeyVRAXRIINRFDJKX-UHFFFAOYSA-N
XLogP1.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane (CID 169319615) is 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane is CN1CCC(CCN2CCC3(CC2)CN(C)C3)CC1.
What is the InChIKey of 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is VRAXRIINRFDJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-17-8-3-15(4-9-17)5-10-19-11-6-16(7-12-19)13-18(2)14-16/h15H,3-14H2,1-2H3.
What are the key properties of 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane?
2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 265.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 169319615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).