N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine

C17H34N2O2 — CID 63741713

IUPACN-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1CCN(CC2(CNC(C)(C)C)CCCOC2)CC1
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(8-5-11-21-14-17)13-19-9-6-15(20-4)7-10-19/h15,18H,5-14H2,1-4H3
InChIKeyFWMLAJNGBQZKGU-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds5

About N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63741713) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63741713
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1CCN(CC2(CNC(C)(C)C)CCCOC2)CC1
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(8-5-11-21-14-17)13-19-9-6-15(20-4)7-10-19/h15,18H,5-14H2,1-4H3
InChIKeyFWMLAJNGBQZKGU-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741247
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62392730
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 63741713) is N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is COC1CCN(CC2(CNC(C)(C)C)CCCOC2)CC1.
What is the InChIKey of N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FWMLAJNGBQZKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(8-5-11-21-14-17)13-19-9-6-15(20-4)7-10-19/h15,18H,5-14H2,1-4H3.
What are the key properties of N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63741713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).