3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

C13H16Cl2N2O — CID 44599188

IUPAC3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(c3cccc(Cl)c3Cl)CC(C1)O2
InChIInChI=1S/C13H16Cl2N2O/c1-16-5-9-7-17(8-10(6-16)18-9)12-4-2-3-11(14)13(12)15/h2-4,9-10H,5-8H2,1H3
InChIKeyUTPGQUGNCIAZKL-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.51
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 44599188) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
PubChem CID44599188
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(c3cccc(Cl)c3Cl)CC(C1)O2
InChIInChI=1S/C13H16Cl2N2O/c1-16-5-9-7-17(8-10(6-16)18-9)12-4-2-3-11(14)13(12)15/h2-4,9-10H,5-8H2,1H3
InChIKeyUTPGQUGNCIAZKL-UHFFFAOYSA-N
XLogP2.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19871273
(2R)-1-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 137635743
(2R)-1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-ol
CID 137639330
(2S)-1-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 137648255
(2S)-1-[4-(2,3-dichlorophenyl)piperazin-1-yl]butan-2-ol
CID 137656298
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CID 134946150
1-(2-chlorophenyl)-4-[(3S)-3-methoxypiperidin-1-yl]piperidine
CID 164642700
(2R)-4-[(2R)-butan-2-yl]-2-[[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]methyl]morpholine
CID 141149689
4-(2,3-Dichlorophenyl)morpholine
CID 54525115
1-(2,3-Dichlorophenyl)-4-(4-methoxybutyl)piperazine
CID 142979816
1-(2,3-Dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
4-(2,3,4-Trichlorophenyl)morpholine
CID 162419389

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (CID 44599188) is 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is CN1CC2CN(c3cccc(Cl)c3Cl)CC(C1)O2.
What is the InChIKey of 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is UTPGQUGNCIAZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-16-5-9-7-17(8-10(6-16)18-9)12-4-2-3-11(14)13(12)15/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 287.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 44599188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).