3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C13H26N2O2 — CID 107270618

IUPAC3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1CC(NCC2(O)CCOC2C)CCN1C
InChIInChI=1S/C13H26N2O2/c1-10-8-12(4-6-15(10)3)14-9-13(16)5-7-17-11(13)2/h10-12,14,16H,4-9H2,1-3H3
InChIKeyZELUUIXCHOTXIG-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds3

About 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270618) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID107270618
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1CC(NCC2(O)CCOC2C)CCN1C
InChIInChI=1S/C13H26N2O2/c1-10-8-12(4-6-15(10)3)14-9-13(16)5-7-17-11(13)2/h10-12,14,16H,4-9H2,1-3H3
InChIKeyZELUUIXCHOTXIG-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 107270618) is 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1CC(NCC2(O)CCOC2C)CCN1C.
What is the InChIKey of 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is ZELUUIXCHOTXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-8-12(4-6-15(10)3)14-9-13(16)5-7-17-11(13)2/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).