4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine

C16H32N4O — CID 131906536

IUPAC4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine
SMILESCN1CCCN(CCN2CCOCC2)CC12CCNCC2
InChIInChI=1S/C16H32N4O/c1-18-7-2-8-20(10-9-19-11-13-21-14-12-19)15-16(18)3-5-17-6-4-16/h17H,2-15H2,1H3
InChIKeyLABZBNKJHOMLJE-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.08
Rot. Bonds3

About 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine

4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine (PubChem CID 131906536) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine
PubChem CID131906536
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine
SMILESCN1CCCN(CCN2CCOCC2)CC12CCNCC2
InChIInChI=1S/C16H32N4O/c1-18-7-2-8-20(10-9-19-11-13-21-14-12-19)15-16(18)3-5-17-6-4-16/h17H,2-15H2,1H3
InChIKeyLABZBNKJHOMLJE-UHFFFAOYSA-N
XLogP0.08
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Methylpiperidin-4-yl)morpholine
CID 12410239
(1-Methyl-4-(morpholin-4-yl)piperidin-4-yl)methanamine
CID 9161416
1-Methyl-4-(morpholin-4-ylmethyl)piperidin-4-amine
CID 84734784
N'-(2-morpholin-4-ylethyl)-N-(3-piperidin-1-ylpropyl)ethane-1,2-diamine
CID 123457788
4-(2,5-Dimethyl-5-piperazin-1-ylhexan-2-yl)morpholine
CID 134214478
4-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-1-methylpiperidin-4-amine
CID 134434936
4-(2,5-Dimethyl-5-piperazin-1-ylhexan-2-yl)-3-methylmorpholine
CID 134580085
5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine
CID 135174917
1-[2-[2-(2,2-Dimethylpiperazin-1-yl)ethoxy]ethyl]-2,2-dimethylpiperazine
CID 139768655
2,2,3-Trimethyl-1-[2-[2-(2,2,3-trimethylpiperazin-1-yl)ethoxy]ethyl]piperazine
CID 139768659
1-[2-[2-(2,2-Diethylpiperazin-1-yl)ethoxy]ethyl]-2,2-diethylpiperazine
CID 139768660
1-(2-Methoxyethyl)-1,4,9-triazaspiro[5.5]undecane
CID 141591044

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine (CID 131906536) is 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine is CN1CCCN(CCN2CCOCC2)CC12CCNCC2.
What is the InChIKey of 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine?
The InChIKey is LABZBNKJHOMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-18-7-2-8-20(10-9-19-11-13-21-14-12-19)15-16(18)3-5-17-6-4-16/h17H,2-15H2,1H3.
What are the key properties of 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine?
4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine has a molecular weight of 296.46 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethyl]morpholine is sourced from PubChem (CID 131906536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).