1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine

C15H30N2O2 — CID 106588972

IUPAC1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCCC(COC)C2)CCOCC1
InChIInChI=1S/C15H30N2O2/c1-16-12-15(5-8-19-9-6-15)13-17-7-3-4-14(10-17)11-18-2/h14,16H,3-13H2,1-2H3
InChIKeyLHKJANJHLSXHOY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.36
Rot. Bonds6

About 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine

1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 106588972) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID106588972
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCCC(COC)C2)CCOCC1
InChIInChI=1S/C15H30N2O2/c1-16-12-15(5-8-19-9-6-15)13-17-7-3-4-14(10-17)11-18-2/h14,16H,3-13H2,1-2H3
InChIKeyLHKJANJHLSXHOY-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine (CID 106588972) is 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine is CNCC1(CN2CCCC(COC)C2)CCOCC1.
What is the InChIKey of 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is LHKJANJHLSXHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-16-12-15(5-8-19-9-6-15)13-17-7-3-4-14(10-17)11-18-2/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 270.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106588972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).