1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane

C16H33N3 — CID 114505870

IUPAC1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
SMILESCCC1CCN(C2CCN(C)CC2C)CCC(C)N1
InChIInChI=1S/C16H33N3/c1-5-15-7-11-19(10-6-14(3)17-15)16-8-9-18(4)12-13(16)2/h13-17H,5-12H2,1-4H3
InChIKeyLMIYAHYGBMQXCE-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane

1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane (PubChem CID 114505870) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
PubChem CID114505870
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
SMILESCCC1CCN(C2CCN(C)CC2C)CCC(C)N1
InChIInChI=1S/C16H33N3/c1-5-15-7-11-19(10-6-14(3)17-15)16-8-9-18(4)12-13(16)2/h13-17H,5-12H2,1-4H3
InChIKeyLMIYAHYGBMQXCE-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane
CID 82736075
1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
CID 114506139
1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
CID 124525677
4-ethyl-6-methyl-1-(5-methylhexyl)-1,5-diazocane
CID 113287778
1-[(1-cyclopropylcyclopropyl)methyl]-4-ethyl-6-methyl-1,5-diazocane
CID 114095787
1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
CID 114506159
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
CID 124864863
4-ethyl-6-methyl-1-(4-methylpentan-2-yl)-1,5-diazocane
CID 54973100
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
1-(1,3-dimethylpiperidin-4-yl)-2-ethyl-5-propylpiperazine
CID 114506178
1-(1,3-dimethylpyrazol-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 102807154

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane (CID 114505870) is 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane is CCC1CCN(C2CCN(C)CC2C)CCC(C)N1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
The InChIKey is LMIYAHYGBMQXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-15-7-11-19(10-6-14(3)17-15)16-8-9-18(4)12-13(16)2/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane?
1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane has a molecular weight of 267.46 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane is sourced from PubChem (CID 114505870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).