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

C18H38N2O — CID 176978995

IUPACethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
SMILESCC.CC.CN1CC(C2CCCN(C3CC(C)(O)C3)C2)C1
InChIInChI=1S/C14H26N2O.2C2H6/c1-14(17)6-13(7-14)16-5-3-4-11(10-16)12-8-15(2)9-12;2*1-2/h11-13,17H,3-10H2,1-2H3;2*1-2H3
InChIKeyFECMTHZUJXOKAH-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.23
Rot. Bonds2

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

ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol (PubChem CID 176978995) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Nameethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
PubChem CID176978995
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Nameethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol
SMILESCC.CC.CN1CC(C2CCCN(C3CC(C)(O)C3)C2)C1
InChIInChI=1S/C14H26N2O.2C2H6/c1-14(17)6-13(7-14)16-5-3-4-11(10-16)12-8-15(2)9-12;2*1-2/h11-13,17H,3-10H2,1-2H3;2*1-2H3
InChIKeyFECMTHZUJXOKAH-UHFFFAOYSA-N
XLogP3.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
The IUPAC name of ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol (CID 176978995) is ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
The canonical SMILES for ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol is CC.CC.CN1CC(C2CCCN(C3CC(C)(O)C3)C2)C1.
What is the InChIKey of ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
The InChIKey is FECMTHZUJXOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.2C2H6/c1-14(17)6-13(7-14)16-5-3-4-11(10-16)12-8-15(2)9-12;2*1-2/h11-13,17H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol?
ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[3-(1-methylazetidin-3-yl)piperidin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 176978995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).