6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]

C12H23N3 — CID 112546093

IUPAC6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]
SMILESCC1CNCC2(CCN3CCC2CC3)N1
InChIInChI=1S/C12H23N3/c1-10-8-13-9-12(14-10)4-7-15-5-2-11(12)3-6-15/h10-11,13-14H,2-9H2,1H3
InChIKeyRTLUNLIBFMSVRA-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.42
Rot. Bonds

About 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]

6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine] (PubChem CID 112546093) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine].

Molecular Properties

Compound Name6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]
PubChem CID112546093
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]
SMILESCC1CNCC2(CCN3CCC2CC3)N1
InChIInChI=1S/C12H23N3/c1-10-8-13-9-12(14-10)4-7-15-5-2-11(12)3-6-15/h10-11,13-14H,2-9H2,1H3
InChIKeyRTLUNLIBFMSVRA-UHFFFAOYSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine] with MolForge

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Related Compounds

(6S)-2,2-diethyl-6-methylpiperazine
CID 82416009
7-methyl-5,8-diazaspiro[2.6]nonane
CID 66654182
4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365876
3a-cyclopropyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-6-amine
CID 57100996
3-[(3-methylpyrrolidin-1-yl)methyl]pyrrolidin-3-ol
CID 164648785
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 23309189
4-(aminomethyl)-N-pent-3-ynyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365301
(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;hydrochloride
CID 22875698
4'-methylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,3'-pyrrolidine]
CID 130942537
6-methylpiperazine-2-thione
CID 72658874
1,4-diazabicyclo[4.2.2]decane
CID 19908218
(2R,5S)-5-methylspiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-one
CID 767011

Frequently Asked Questions

What is the IUPAC name of 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]?
The IUPAC name of 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine] (CID 112546093) is 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine].
What is the SMILES notation for 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]?
The canonical SMILES for 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine] is CC1CNCC2(CCN3CCC2CC3)N1.
What is the InChIKey of 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]?
The InChIKey is RTLUNLIBFMSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10-8-13-9-12(14-10)4-7-15-5-2-11(12)3-6-15/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine]?
6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine] has a molecular weight of 209.34 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methylspiro[1-azabicyclo[3.2.2]nonane-4,2'-piperazine] is sourced from PubChem (CID 112546093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).