5-piperidin-4-yl-2,5-diazaspiro[3.4]octane

C22H42N6 — CID 162741933

IUPAC5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
SMILESC1CN(C2CCNCC2)C2(C1)CNC2.C1CN(C2CCNCC2)C2(C1)CNC2
InChIInChI=1S/2C11H21N3/c2*1-4-11(8-13-9-11)14(7-1)10-2-5-12-6-3-10/h2*10,12-13H,1-9H2
InChIKeyIIKWICXFSIWXFE-UHFFFAOYSA-N
MW390.62 g/mol
LogP0.35
Rot. Bonds2

About 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane

5-piperidin-4-yl-2,5-diazaspiro[3.4]octane (PubChem CID 162741933) has the molecular formula C22H42N6 and a molecular weight of 390.62 g/mol. Its IUPAC name is 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
PubChem CID162741933
Molecular FormulaC22H42N6
Molecular Weight390.62 g/mol
Exact Mass390.35
IUPAC Name5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
SMILESC1CN(C2CCNCC2)C2(C1)CNC2.C1CN(C2CCNCC2)C2(C1)CNC2
InChIInChI=1S/2C11H21N3/c2*1-4-11(8-13-9-11)14(7-1)10-2-5-12-6-3-10/h2*10,12-13H,1-9H2
InChIKeyIIKWICXFSIWXFE-UHFFFAOYSA-N
XLogP0.35
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,5-Diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane
CID 126759678
2-[2-(2,5-Diazaspiro[3.4]octan-2-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 138601304
1-Tert-butylpiperazine;ethane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 158588187
1-Tert-butylpiperazine;ethane;methane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 159163634
3-Tert-butyl-3,6-diazabicyclo[3.1.1]heptane;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 161378860
2-Tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butylpiperazine;ethane;methane
CID 161519840
3-Tert-butyl-3,6-diazabicyclo[3.1.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 162204752
1-Piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane
CID 162741868
2-Methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
CID 162742084
1-(2,5-Diazaspiro[3.4]octan-7-yl)-1,7-diazaspiro[3.4]octane
CID 167199390
N-tert-butyl-N',N'-dimethylbutane-1,4-diamine;N-tert-butyl-N',N'-dimethylethane-1,2-diamine;N-tert-butyl-N',N'-dimethylpropane-1,3-diamine;N,N-dibutyl-4,4-dimethylpentan-1-amine;N,N-diethyl-4,4-dimethylpentan-1-amine;4,4-dimethyl-N,N-di(propan-2-yl)pentan-1-amine;4,4-dimethyl-N,N-dipropylpentan-1-amine;1-(5,5-dimethylhexyl)azetidine;1-(5,5-dimethylhexyl)piperidine;1-(4,4-dimethylpentyl)azetidine;1-(4,4-dimethylpentyl)pyrrolidine;2-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 167627502
(1R,4R)-2-tert-butyl-5-[2-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpropyl]-2,5-diazabicyclo[2.2.1]heptane
CID 169665826

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
The IUPAC name of 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane (CID 162741933) is 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
The canonical SMILES for 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane is C1CN(C2CCNCC2)C2(C1)CNC2.C1CN(C2CCNCC2)C2(C1)CNC2.
What is the InChIKey of 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
The InChIKey is IIKWICXFSIWXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21N3/c2*1-4-11(8-13-9-11)14(7-1)10-2-5-12-6-3-10/h2*10,12-13H,1-9H2.
What are the key properties of 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
5-piperidin-4-yl-2,5-diazaspiro[3.4]octane has a molecular weight of 390.62 g/mol, XLogP of 0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 162741933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).