8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane

C17H32N2 — CID 172630127

IUPAC8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
SMILESCC1CCN(CCC2CCN(C)CC2)C2(CCC2)C1
InChIInChI=1S/C17H32N2/c1-15-4-12-19(17(14-15)8-3-9-17)13-7-16-5-10-18(2)11-6-16/h15-16H,3-14H2,1-2H3
InChIKeyDEJBLYBDEZOGJF-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.37
Rot. Bonds3

About 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane

8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane (PubChem CID 172630127) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
PubChem CID172630127
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
SMILESCC1CCN(CCC2CCN(C)CC2)C2(CCC2)C1
InChIInChI=1S/C17H32N2/c1-15-4-12-19(17(14-15)8-3-9-17)13-7-16-5-10-18(2)11-6-16/h15-16H,3-14H2,1-2H3
InChIKeyDEJBLYBDEZOGJF-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
CID 176634043
ethane;1-[2-(1-methylpiperidin-4-yl)ethyl]-4-methylsulfanyl-9-oxa-1-azaspiro[5.5]undecane
CID 172630890
(5R,8S)-1,8-dimethyl-1-azaspiro[4.4]nonane
CID 169125835
(8S)-5-cyclopropyl-8-methyl-5-azaspiro[3.5]nonane;ethane
CID 169125922
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane
CID 167009656
2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 169319615
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
2-(1-methylpiperidin-4-yl)ethylphosphonous acid
CID 143159252
1-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-ol
CID 115073598

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
The IUPAC name of 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane (CID 172630127) is 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane.
What is the SMILES notation for 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
The canonical SMILES for 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane is CC1CCN(CCC2CCN(C)CC2)C2(CCC2)C1.
What is the InChIKey of 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
The InChIKey is DEJBLYBDEZOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15-4-12-19(17(14-15)8-3-9-17)13-7-16-5-10-18(2)11-6-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane has a molecular weight of 264.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane is sourced from PubChem (CID 172630127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).