1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol

C14H26N2O — CID 176978996

IUPAC1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
SMILESCN1CC(C2CCCN(C3CC(C)(O)C3)C2)C1
InChIInChI=1S/C14H26N2O/c1-14(17)6-13(7-14)16-5-3-4-11(10-16)12-8-15(2)9-12/h11-13,17H,3-10H2,1-2H3
InChIKeyHKXLZUFMTOSWIF-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.17
Rot. Bonds2

About 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol

1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol (PubChem CID 176978996) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
PubChem CID176978996
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
SMILESCN1CC(C2CCCN(C3CC(C)(O)C3)C2)C1
InChIInChI=1S/C14H26N2O/c1-14(17)6-13(7-14)16-5-3-4-11(10-16)12-8-15(2)9-12/h11-13,17H,3-10H2,1-2H3
InChIKeyHKXLZUFMTOSWIF-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
The IUPAC name of 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol (CID 176978996) is 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
The canonical SMILES for 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol is CN1CC(C2CCCN(C3CC(C)(O)C3)C2)C1.
What is the InChIKey of 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
The InChIKey is HKXLZUFMTOSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(17)6-13(7-14)16-5-3-4-11(10-16)12-8-15(2)9-12/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 176978996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).