1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane

C14H30N2O — CID 142327104

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane
SMILESCC.CN1CCC(C)(CN2CC(C)(O)C2)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-11(4-6-13(3)7-5-11)8-14-9-12(2,15)10-14;1-2/h15H,4-10H2,1-3H3;1-2H3
InChIKeyHIJBWCMAEKIHEL-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds2

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane

1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane (PubChem CID 142327104) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane
PubChem CID142327104
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane
SMILESCC.CN1CCC(C)(CN2CC(C)(O)C2)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-11(4-6-13(3)7-5-11)8-14-9-12(2,15)10-14;1-2/h15H,4-10H2,1-3H3;1-2H3
InChIKeyHIJBWCMAEKIHEL-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane (CID 142327104) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane is CC.CN1CCC(C)(CN2CC(C)(O)C2)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane?
The InChIKey is HIJBWCMAEKIHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2H6/c1-11(4-6-13(3)7-5-11)8-14-9-12(2,15)10-14;1-2/h15H,4-10H2,1-3H3;1-2H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane has a molecular weight of 242.41 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylazetidin-3-ol;ethane is sourced from PubChem (CID 142327104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).