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

C15H31N3 — CID 114505869

IUPAC1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(C2CCN(C)CC2C)CCC(C)N1
InChIInChI=1S/C15H31N3/c1-12-11-17(4)8-7-15(12)18-9-5-13(2)16-14(3)6-10-18/h12-16H,5-11H2,1-4H3
InChIKeyQAZRRYICEFRVKE-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds1

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

1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane (PubChem CID 114505869) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
PubChem CID114505869
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(C2CCN(C)CC2C)CCC(C)N1
InChIInChI=1S/C15H31N3/c1-12-11-17(4)8-7-15(12)18-9-5-13(2)16-14(3)6-10-18/h12-16H,5-11H2,1-4H3
InChIKeyQAZRRYICEFRVKE-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 114505870
1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
CID 124525677
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
CID 124864863
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
4,7-dimethyl-1,4-diazepan-2-ol;ethane
CID 142873717
1,3-dimethyl-4-pyrrol-1-ylpiperidine
CID 114505789
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
ethane;1,3,4-trimethylpiperidine
CID 142222872
1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
CID 114506159
1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
CID 114506163
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 114506173

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane (CID 114505869) is 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane is CC1CCN(C2CCN(C)CC2C)CCC(C)N1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane?
The InChIKey is QAZRRYICEFRVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12-11-17(4)8-7-15(12)18-9-5-13(2)16-14(3)6-10-18/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane?
1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane has a molecular weight of 253.43 g/mol, XLogP of 1.79, 1 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)-4,6-dimethyl-1,5-diazocane is sourced from PubChem (CID 114505869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).