1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol

C13H26N2O2 — CID 156719708

IUPAC1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol
SMILESOC1CCC1.OC1CCN(CC2CNC2)CC1
InChIInChI=1S/C9H18N2O.C4H8O/c12-9-1-3-11(4-2-9)7-8-5-10-6-8;5-4-2-1-3-4/h8-10,12H,1-7H2;4-5H,1-3H2
InChIKeySILVVIXLDKCJJW-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.19
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol

1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol (PubChem CID 156719708) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol
PubChem CID156719708
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol
SMILESOC1CCC1.OC1CCN(CC2CNC2)CC1
InChIInChI=1S/C9H18N2O.C4H8O/c12-9-1-3-11(4-2-9)7-8-5-10-6-8;5-4-2-1-3-4/h8-10,12H,1-7H2;4-5H,1-3H2
InChIKeySILVVIXLDKCJJW-UHFFFAOYSA-N
XLogP0.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol?
The IUPAC name of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol (CID 156719708) is 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol?
The canonical SMILES for 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol is OC1CCC1.OC1CCN(CC2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol?
The InChIKey is SILVVIXLDKCJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C4H8O/c12-9-1-3-11(4-2-9)7-8-5-10-6-8;5-4-2-1-3-4/h8-10,12H,1-7H2;4-5H,1-3H2.
What are the key properties of 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol?
1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol has a molecular weight of 242.36 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclobutanol is sourced from PubChem (CID 156719708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).