5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine

C16H26ClN3O — CID 62891898

IUPAC5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN2CCCC(OCC)C2)n1
InChIInChI=1S/C16H26ClN3O/c1-3-9-18-16-8-7-14(17)15(19-16)12-20-10-5-6-13(11-20)21-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,19)
InChIKeySRNWMZMKHUVCHY-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.56
Rot. Bonds7

About 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine

5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62891898) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62891898
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CN2CCCC(OCC)C2)n1
InChIInChI=1S/C16H26ClN3O/c1-3-9-18-16-8-7-14(17)15(19-16)12-20-10-5-6-13(11-20)21-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,19)
InChIKeySRNWMZMKHUVCHY-UHFFFAOYSA-N
XLogP3.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[(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-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62207953
3,6-dichloro-2-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 55127726
5-chloro-6-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62892502
5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62890593
[5-chloro-6-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62891367
[1-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]piperidin-3-yl]methanol
CID 62891805
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 62207774
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
5-chloro-6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethylpyridin-2-amine
CID 63165745
5-chloro-6-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 62891488
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-5-chloro-N-propylpyridin-2-amine
CID 62890974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine (CID 62891898) is 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CN2CCCC(OCC)C2)n1.
What is the InChIKey of 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is SRNWMZMKHUVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-3-9-18-16-8-7-14(17)15(19-16)12-20-10-5-6-13(11-20)21-4-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine?
5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62891898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).