2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol

C10H20N2O — CID 131171989

IUPAC2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(C2CNC2)CC1
InChIInChI=1S/C10H20N2O/c13-6-3-9-1-4-12(5-2-9)10-7-11-8-10/h9-11,13H,1-8H2
InChIKeyGBZMFXZCODBDLN-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.05
Rot. Bonds3

About 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol

2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol (PubChem CID 131171989) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol
PubChem CID131171989
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(C2CNC2)CC1
InChIInChI=1S/C10H20N2O/c13-6-3-9-1-4-12(5-2-9)10-7-11-8-10/h9-11,13H,1-8H2
InChIKeyGBZMFXZCODBDLN-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol (CID 131171989) is 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol is OCCC1CCN(C2CNC2)CC1.
What is the InChIKey of 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol?
The InChIKey is GBZMFXZCODBDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c13-6-3-9-1-4-12(5-2-9)10-7-11-8-10/h9-11,13H,1-8H2.
What are the key properties of 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol?
2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 131171989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).