[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

C12H24N2O — CID 62438305

IUPAC[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1CCCCN1CC1CCC(CN)O1
InChIInChI=1S/C12H24N2O/c1-10-4-2-3-7-14(10)9-12-6-5-11(8-13)15-12/h10-12H,2-9,13H2,1H3
InChIKeyIHSGAKZCVGNGIN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.37
Rot. Bonds3

About [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 62438305) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID62438305
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1CCCCN1CC1CCC(CN)O1
InChIInChI=1S/C12H24N2O/c1-10-4-2-3-7-14(10)9-12-6-5-11(8-13)15-12/h10-12H,2-9,13H2,1H3
InChIKeyIHSGAKZCVGNGIN-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine (CID 62438305) is [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is CC1CCCCN1CC1CCC(CN)O1.
What is the InChIKey of [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is IHSGAKZCVGNGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-4-2-3-7-14(10)9-12-6-5-11(8-13)15-12/h10-12H,2-9,13H2,1H3.
What are the key properties of [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62438305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).