5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine

C13H20ClN3O — CID 107394965

IUPAC5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
SMILESCOC1(C)CCCN(Cc2nc(N)ccc2Cl)C1
InChIInChI=1S/C13H20ClN3O/c1-13(18-2)6-3-7-17(9-13)8-11-10(14)4-5-12(15)16-11/h4-5H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyXFIOLFUEKSEKQI-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.32
Rot. Bonds3

About 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine

5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine (PubChem CID 107394965) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
PubChem CID107394965
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
SMILESCOC1(C)CCCN(Cc2nc(N)ccc2Cl)C1
InChIInChI=1S/C13H20ClN3O/c1-13(18-2)6-3-7-17(9-13)8-11-10(14)4-5-12(15)16-11/h4-5H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyXFIOLFUEKSEKQI-UHFFFAOYSA-N
XLogP2.32
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-chloropyridin-2-amine
CID 62930781
5-chloro-6-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]pyridin-2-amine
CID 107459084
3-chloro-2-(chloromethyl)-6-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394378
5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
CID 103538581
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 107394991
1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine
CID 107390668
1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393620
5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63010267
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
5-chloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62892346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine (CID 107394965) is 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine is COC1(C)CCCN(Cc2nc(N)ccc2Cl)C1.
What is the InChIKey of 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine?
The InChIKey is XFIOLFUEKSEKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-13(18-2)6-3-7-17(9-13)8-11-10(14)4-5-12(15)16-11/h4-5H,3,6-9H2,1-2H3,(H2,15,16).
What are the key properties of 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine?
5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 107394965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).