N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 62282119

IUPACN-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOC1CCN(c2ccc(CNC(C)C)cn2)CC1
InChIInChI=1S/C16H27N3O/c1-4-20-15-7-9-19(10-8-15)16-6-5-14(12-18-16)11-17-13(2)3/h5-6,12-13,15,17H,4,7-11H2,1-3H3
InChIKeyMIKHJXGFKWRAEJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds6

About N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62282119) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62282119
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOC1CCN(c2ccc(CNC(C)C)cn2)CC1
InChIInChI=1S/C16H27N3O/c1-4-20-15-7-9-19(10-8-15)16-6-5-14(12-18-16)11-17-13(2)3/h5-6,12-13,15,17H,4,7-11H2,1-3H3
InChIKeyMIKHJXGFKWRAEJ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62287146
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
N-[[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 81147565
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azetidin-3-amine
CID 165486620
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111958709
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62282119) is N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CCOC1CCN(c2ccc(CNC(C)C)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is MIKHJXGFKWRAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-15-7-9-19(10-8-15)16-6-5-14(12-18-16)11-17-13(2)3/h5-6,12-13,15,17H,4,7-11H2,1-3H3.
What are the key properties of N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62282119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).