2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol

C9H18N2O2 — CID 45115673

IUPAC2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESOCCN1CC2CC1CN2CCO
InChIInChI=1S/C9H18N2O2/c12-3-1-10-6-9-5-8(10)7-11(9)2-4-13/h8-9,12-13H,1-7H2
InChIKeyFVHHUDQOLKIRDY-UHFFFAOYSA-N
MW186.25 g/mol
LogP-1.27
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol

2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol (PubChem CID 45115673) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
PubChem CID45115673
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESOCCN1CC2CC1CN2CCO
InChIInChI=1S/C9H18N2O2/c12-3-1-10-6-9-5-8(10)7-11(9)2-4-13/h8-9,12-13H,1-7H2
InChIKeyFVHHUDQOLKIRDY-UHFFFAOYSA-N
XLogP-1.27
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134820978
CID 134820978
CID 134820979
CID 134820979
CID 134820980
CID 134820980
CID 134820982
CID 134820982
CID 16639277
CID 16639277
CID 21027187
CID 21027187
CID 21911980
CID 21911980
CID 55298775
CID 55298775
CID 58311492
CID 58311492
CID 59603527
CID 59603527
CID 68250288
CID 68250288
CID 68250443
CID 68250443

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol (CID 45115673) is 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol is OCCN1CC2CC1CN2CCO.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The InChIKey is FVHHUDQOLKIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-3-1-10-6-9-5-8(10)7-11(9)2-4-13/h8-9,12-13H,1-7H2.
What are the key properties of 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol has a molecular weight of 186.25 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol is sourced from PubChem (CID 45115673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).