2-(4-methoxyphenyl)-1,4-diazocane

C13H20N2O — CID 2771778

IUPAC2-(4-methoxyphenyl)-1,4-diazocane
SMILESCOc1ccc(C2CNCCCCN2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13-10-14-8-2-3-9-15-13/h4-7,13-15H,2-3,8-10H2,1H3
InChIKeyJJAINMOQMNIPTP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.71
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,4-diazocane

2-(4-methoxyphenyl)-1,4-diazocane (PubChem CID 2771778) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,4-diazocane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,4-diazocane
PubChem CID2771778
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(4-methoxyphenyl)-1,4-diazocane
SMILESCOc1ccc(C2CNCCCCN2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13-10-14-8-2-3-9-15-13/h4-7,13-15H,2-3,8-10H2,1H3
InChIKeyJJAINMOQMNIPTP-UHFFFAOYSA-N
XLogP1.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)piperidine
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(2S)-2-(4-methoxyphenyl)azetidine
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(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2R)-2-(4-propan-2-yloxyphenyl)piperazine
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[4-[(2S)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171193891
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
4-(4-methoxyphenyl)-1,3-diazinane
CID 123665094
2-(4-phenoxyphenyl)piperazine
CID 82298874
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
2-[4-(2-methylpropoxy)phenyl]piperazine
CID 82290919
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
(2S)-2-[4-(methoxymethyl)phenyl]piperazine
CID 67928117

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,4-diazocane?
The IUPAC name of 2-(4-methoxyphenyl)-1,4-diazocane (CID 2771778) is 2-(4-methoxyphenyl)-1,4-diazocane.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,4-diazocane?
The canonical SMILES for 2-(4-methoxyphenyl)-1,4-diazocane is COc1ccc(C2CNCCCCN2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,4-diazocane?
The InChIKey is JJAINMOQMNIPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)13-10-14-8-2-3-9-15-13/h4-7,13-15H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,4-diazocane?
2-(4-methoxyphenyl)-1,4-diazocane has a molecular weight of 220.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,4-diazocane is sourced from PubChem (CID 2771778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).