5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine

C16H27N3O — CID 62207953

IUPAC5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN2CCCC(OCC)C2)cn1
InChIInChI=1S/C16H27N3O/c1-3-9-17-16-8-7-14(11-18-16)12-19-10-5-6-15(13-19)20-4-2/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3,(H,17,18)
InChIKeyQCAFSHUVDBCLQJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.90
Rot. Bonds7

About 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine

5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62207953) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62207953
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN2CCCC(OCC)C2)cn1
InChIInChI=1S/C16H27N3O/c1-3-9-17-16-8-7-14(11-18-16)12-19-10-5-6-15(13-19)20-4-2/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3,(H,17,18)
InChIKeyQCAFSHUVDBCLQJ-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62891898
5-[(4-ethoxypiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183322
4-methyl-1-[[6-(propylamino)-3-pyridinyl]methyl]piperidin-3-ol
CID 102966649
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propylpyridin-2-amine
CID 79932442
5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine
CID 55046608
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-propylpyridin-2-amine
CID 107459113
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555416
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
CID 54990148
5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62546994

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine (CID 62207953) is 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN2CCCC(OCC)C2)cn1.
What is the InChIKey of 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is QCAFSHUVDBCLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-16-8-7-14(11-18-16)12-19-10-5-6-15(13-19)20-4-2/h7-8,11,15H,3-6,9-10,12-13H2,1-2H3,(H,17,18).
What are the key properties of 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62207953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).