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

C16H32N2O2 — CID 106589001

IUPACN-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC(COC)C2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-3-17-13-16(6-9-20-10-7-16)14-18-8-4-5-15(11-18)12-19-2/h15,17H,3-14H2,1-2H3
InChIKeyPARIQSAKMPQCKC-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.75
Rot. Bonds7

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

N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 106589001) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
PubChem CID106589001
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCCC(COC)C2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-3-17-13-16(6-9-20-10-7-16)14-18-8-4-5-15(11-18)12-19-2/h15,17H,3-14H2,1-2H3
InChIKeyPARIQSAKMPQCKC-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine (CID 106589001) is N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCCC(COC)C2)CCOCC1.
What is the InChIKey of N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is PARIQSAKMPQCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-17-13-16(6-9-20-10-7-16)14-18-8-4-5-15(11-18)12-19-2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 284.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 106589001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).