1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine

C16H27N3O — CID 106587252

IUPAC1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(N2CCCC(COC)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-15(17-2)16-8-7-14(10-18-16)19-9-5-6-13(11-19)12-20-3/h7-8,10,13,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyQFCPOHSBQOVTOV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.61
Rot. Bonds6

About 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine

1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine (PubChem CID 106587252) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
PubChem CID106587252
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(N2CCCC(COC)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-15(17-2)16-8-7-14(10-18-16)19-9-5-6-13(11-19)12-20-3/h7-8,10,13,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyQFCPOHSBQOVTOV-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-N1-((3-aminopyridin-2-yl)methyl)-N1-(1-(pyridin-2-yl)ethyl)butane-1,4-diamine
CID 25177632
(2R)-2-[[3-fluoro-6-(5-fluoro-2-pyridinyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312671
US11365191, Example 133
CID 153338584
US11365191, Example 100
CID 153338589
6-((Morpholin-4-yl)methyl)pyridin-3-amine
CID 20724840
6-(Oxan-4-yl)pyridin-3-amine
CID 86692451
(1-Ethylpropyl)(2-morpholin-4-yl-2-pyridin-2-ylethyl)amine
CID 50962930
N-(1-isobutylpiperidin-4-yl)-N'-pyridin-3-ylethane-1,2-diamine
CID 56721745
(3R,4R)-4-(2-methoxyethyl)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-ol
CID 70748667
2-[(3R*,4R*)-4-hydroxy-4-(2-methoxyethyl)-3-methyl-1-piperidinyl]-N-(2-pyridinylmethyl)acetamide
CID 72917314
3-Cyclohexyl-3-[(2-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 84594496
3-Cyclohexyl-3-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 84595291

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine (CID 106587252) is 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(N2CCCC(COC)C2)cn1.
What is the InChIKey of 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine?
The InChIKey is QFCPOHSBQOVTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-15(17-2)16-8-7-14(10-18-16)19-9-5-6-13(11-19)12-20-3/h7-8,10,13,15,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine?
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine is sourced from PubChem (CID 106587252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).