2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol

C11H22N2O — CID 172596974

IUPAC2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol
SMILESCC1CCC(C2CNC2)CN1CCO
InChIInChI=1S/C11H22N2O/c1-9-2-3-10(11-6-12-7-11)8-13(9)4-5-14/h9-12,14H,2-8H2,1H3
InChIKeyYTHHCMVQVJMOQC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds3

About 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol

2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol (PubChem CID 172596974) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol
PubChem CID172596974
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol
SMILESCC1CCC(C2CNC2)CN1CCO
InChIInChI=1S/C11H22N2O/c1-9-2-3-10(11-6-12-7-11)8-13(9)4-5-14/h9-12,14H,2-8H2,1H3
InChIKeyYTHHCMVQVJMOQC-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol (CID 172596974) is 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol is CC1CCC(C2CNC2)CN1CCO.
What is the InChIKey of 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol?
The InChIKey is YTHHCMVQVJMOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-2-3-10(11-6-12-7-11)8-13(9)4-5-14/h9-12,14H,2-8H2,1H3.
What are the key properties of 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol?
2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol is sourced from PubChem (CID 172596974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).