[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine

C14H28N2O2 — CID 106588963

IUPAC[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
SMILESCOCC1CCCN(CC2(CN)CCCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-9-13-4-2-6-16(8-13)11-14(10-15)5-3-7-18-12-14/h13H,2-12,15H2,1H3
InChIKeyFCNQJKSBQASRBC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.10
Rot. Bonds5

About [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine

[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine (PubChem CID 106588963) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
PubChem CID106588963
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
SMILESCOCC1CCCN(CC2(CN)CCCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-9-13-4-2-6-16(8-13)11-14(10-15)5-3-7-18-12-14/h13H,2-12,15H2,1H3
InChIKeyFCNQJKSBQASRBC-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
CID 106587463
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxan-3-yl]methanamine
CID 55243601
[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740705
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
CID 115453905
1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
CID 106588972
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methyl]ethanamine
CID 106589001
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388
[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
CID 63741416

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine (CID 106588963) is [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine is COCC1CCCN(CC2(CN)CCCOC2)C1.
What is the InChIKey of [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine?
The InChIKey is FCNQJKSBQASRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-9-13-4-2-6-16(8-13)11-14(10-15)5-3-7-18-12-14/h13H,2-12,15H2,1H3.
What are the key properties of [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine?
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine has a molecular weight of 256.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 106588963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).