1-(azetidin-3-yl)-4-methylpiperidin-4-ol

C9H18N2O — CID 21029908

IUPAC1-(azetidin-3-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C2CNC2)CC1
InChIInChI=1S/C9H18N2O/c1-9(12)2-4-11(5-3-9)8-6-10-7-8/h8,10,12H,2-7H2,1H3
InChIKeyJHDMLCYDWIQIGM-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds1

About 1-(azetidin-3-yl)-4-methylpiperidin-4-ol

1-(azetidin-3-yl)-4-methylpiperidin-4-ol (PubChem CID 21029908) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-methylpiperidin-4-ol
PubChem CID21029908
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(azetidin-3-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C2CNC2)CC1
InChIInChI=1S/C9H18N2O/c1-9(12)2-4-11(5-3-9)8-6-10-7-8/h8,10,12H,2-7H2,1H3
InChIKeyJHDMLCYDWIQIGM-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol (CID 21029908) is 1-(azetidin-3-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(azetidin-3-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(azetidin-3-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol?
The InChIKey is JHDMLCYDWIQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(12)2-4-11(5-3-9)8-6-10-7-8/h8,10,12H,2-7H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-methylpiperidin-4-ol?
1-(azetidin-3-yl)-4-methylpiperidin-4-ol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 21029908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).