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

C23H44N6 — CID 162742084

IUPAC2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
SMILESC1CN(C2CCNCC2)C2(C1)CNC2.CN1CC2(CCCN2C2CCNCC2)C1
InChIInChI=1S/C12H23N3.C11H21N3/c1-14-9-12(10-14)5-2-8-15(12)11-3-6-13-7-4-11;1-4-11(8-13-9-11)14(7-1)10-2-5-12-6-3-10/h11,13H,2-10H2,1H3;10,12-13H,1-9H2
InChIKeyIFIIPFXTGPWRBT-UHFFFAOYSA-N
MW404.65 g/mol
LogP0.69
Rot. Bonds2

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

2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane (PubChem CID 162742084) has the molecular formula C23H44N6 and a molecular weight of 404.65 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
PubChem CID162742084
Molecular FormulaC23H44N6
Molecular Weight404.65 g/mol
Exact Mass404.36
IUPAC Name2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane
SMILESC1CN(C2CCNCC2)C2(C1)CNC2.CN1CC2(CCCN2C2CCNCC2)C1
InChIInChI=1S/C12H23N3.C11H21N3/c1-14-9-12(10-14)5-2-8-15(12)11-3-6-13-7-4-11;1-4-11(8-13-9-11)14(7-1)10-2-5-12-6-3-10/h11,13H,2-10H2,1H3;10,12-13H,1-9H2
InChIKeyIFIIPFXTGPWRBT-UHFFFAOYSA-N
XLogP0.69
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 50.69
H-Bond Donors ≤ 53
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
8-[2-(2,5-Diazaspiro[3.5]nonan-2-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
CID 146389006
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
5-Piperidin-4-yl-2,5-diazaspiro[3.4]octane
CID 162741933
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 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
The IUPAC name of 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane (CID 162742084) is 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
The canonical SMILES for 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane is C1CN(C2CCNCC2)C2(C1)CNC2.CN1CC2(CCCN2C2CCNCC2)C1.
What is the InChIKey of 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
The InChIKey is IFIIPFXTGPWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.C11H21N3/c1-14-9-12(10-14)5-2-8-15(12)11-3-6-13-7-4-11;1-4-11(8-13-9-11)14(7-1)10-2-5-12-6-3-10/h11,13H,2-10H2,1H3;10,12-13H,1-9H2.
What are the key properties of 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane?
2-methyl-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 404.65 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-yl-2,5-diazaspiro[3.4]octane;5-piperidin-4-yl-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 162742084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).