1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane

C14H29N3 — CID 55031716

IUPAC1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane
SMILESCCN1CCCC(N2CCCNC(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-3-16-9-4-6-14(12-16)17-10-5-8-15-13(2)7-11-17/h13-15H,3-12H2,1-2H3
InChIKeyUHQZULTWWLBFFG-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane

1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane (PubChem CID 55031716) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane
PubChem CID55031716
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane
SMILESCCN1CCCC(N2CCCNC(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-3-16-9-4-6-14(12-16)17-10-5-8-15-13(2)7-11-17/h13-15H,3-12H2,1-2H3
InChIKeyUHQZULTWWLBFFG-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
CID 131160325
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
CID 174064097
1-(3,4-dimethylcyclohexyl)-4-methyl-1,5-diazocane
CID 64743687
4-methyl-1-(oxolan-3-yl)-1,5-diazocane
CID 80716222
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(1-ethylazetidin-3-yl)piperidine
CID 69087799

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane (CID 55031716) is 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane is CCN1CCCC(N2CCCNC(C)CC2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane?
The InChIKey is UHQZULTWWLBFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-16-9-4-6-14(12-16)17-10-5-8-15-13(2)7-11-17/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane?
1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane has a molecular weight of 239.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane is sourced from PubChem (CID 55031716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).