4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane

C16H30N2 — CID 79678092

IUPAC4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
SMILESCC1CCN(C2CCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-14-6-11-18(12-7-14)15-5-10-17-16(13-15)8-3-2-4-9-16/h14-15,17H,2-13H2,1H3
InChIKeyIPWUERUAXVIYTJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds1

About 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane

4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane (PubChem CID 79678092) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
PubChem CID79678092
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
SMILESCC1CCN(C2CCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C16H30N2/c1-14-6-11-18(12-7-14)15-5-10-17-16(13-15)8-3-2-4-9-16/h14-15,17H,2-13H2,1H3
InChIKeyIPWUERUAXVIYTJ-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
CID 79680272
4-(1-azaspiro[5.5]undecan-4-yl)morpholine
CID 79677734
2-(5-azaspiro[3.5]nonan-8-yl)-2-azaspiro[3.5]nonane
CID 79677731
4-(5-azaspiro[3.5]nonan-8-yl)morpholine
CID 79677979
8-methyl-5-azaspiro[3.5]nonane
CID 89432250
ethane;(8S)-8-methyl-5-azaspiro[3.5]nonane
CID 169125658
(7R)-7-methyl-4-azaspiro[2.5]octane
CID 155722557
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971560
3-methyl-1-azaspiro[4.5]decane
CID 154321792
1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one
CID 79884762
2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79876311
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane (CID 79678092) is 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane is CC1CCN(C2CCNC3(CCCCC3)C2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane?
The InChIKey is IPWUERUAXVIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14-6-11-18(12-7-14)15-5-10-17-16(13-15)8-3-2-4-9-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane?
4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane has a molecular weight of 250.43 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane is sourced from PubChem (CID 79678092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).