[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

C13H26N2O — CID 62412121

IUPAC[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1CCCN(CC2CCC(CN)O2)C1C
InChIInChI=1S/C13H26N2O/c1-10-4-3-7-15(11(10)2)9-13-6-5-12(8-14)16-13/h10-13H,3-9,14H2,1-2H3
InChIKeyZOMKCXCEZQCAII-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds3

About [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 62412121) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID62412121
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1CCCN(CC2CCC(CN)O2)C1C
InChIInChI=1S/C13H26N2O/c1-10-4-3-7-15(11(10)2)9-13-6-5-12(8-14)16-13/h10-13H,3-9,14H2,1-2H3
InChIKeyZOMKCXCEZQCAII-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (CID 62412121) is [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is CC1CCCN(CC2CCC(CN)O2)C1C.
What is the InChIKey of [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is ZOMKCXCEZQCAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-4-3-7-15(11(10)2)9-13-6-5-12(8-14)16-13/h10-13H,3-9,14H2,1-2H3.
What are the key properties of [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62412121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).