1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol

C14H18Cl2N2O — CID 79968525

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)C1CN2CCN1CC2
InChIInChI=1S/C14H18Cl2N2O/c15-11-2-1-10(12(16)8-11)7-14(19)13-9-17-3-5-18(13)6-4-17/h1-2,8,13-14,19H,3-7,9H2
InChIKeyRMNCPESWFKRCTG-UHFFFAOYSA-N
MW301.22 g/mol
LogP1.90
Rot. Bonds3

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol (PubChem CID 79968525) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol
PubChem CID79968525
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)C1CN2CCN1CC2
InChIInChI=1S/C14H18Cl2N2O/c15-11-2-1-10(12(16)8-11)7-14(19)13-9-17-3-5-18(13)6-4-17/h1-2,8,13-14,19H,3-7,9H2
InChIKeyRMNCPESWFKRCTG-UHFFFAOYSA-N
XLogP1.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 79968890
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
CID 115386317
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584
1-(2,4-dichlorophenyl)hex-5-yn-2-ol
CID 63657112
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol (CID 79968525) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1Cl)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol?
The InChIKey is RMNCPESWFKRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-11-2-1-10(12(16)8-11)7-14(19)13-9-17-3-5-18(13)6-4-17/h1-2,8,13-14,19H,3-7,9H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol has a molecular weight of 301.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 79968525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).