[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine

C13H26N2O2 — CID 63741360

IUPAC[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCOC1CCN(CC2(CN)CCCOC2)CC1
InChIInChI=1S/C13H26N2O2/c1-16-12-3-6-15(7-4-12)10-13(9-14)5-2-8-17-11-13/h12H,2-11,14H2,1H3
InChIKeyAJKXMMVIDRBLSD-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds4

About [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine

[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine (PubChem CID 63741360) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
PubChem CID63741360
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCOC1CCN(CC2(CN)CCCOC2)CC1
InChIInChI=1S/C13H26N2O2/c1-16-12-3-6-15(7-4-12)10-13(9-14)5-2-8-17-11-13/h12H,2-11,14H2,1H3
InChIKeyAJKXMMVIDRBLSD-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741713
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
CID 106588963
[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
CID 63741416
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxan-3-yl]methanamine
CID 55243601
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740705
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448905
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]oxan-3-yl]methanol
CID 102967531
3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 55056174
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine (CID 63741360) is [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine is COC1CCN(CC2(CN)CCCOC2)CC1.
What is the InChIKey of [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is AJKXMMVIDRBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-16-12-3-6-15(7-4-12)10-13(9-14)5-2-8-17-11-13/h12H,2-11,14H2,1H3.
What are the key properties of [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine?
[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 63741360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).