3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine

C17H23N3O — CID 107394991

IUPAC3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
SMILESCOC1(C)CCCN(Cc2cc3ccccc3nc2N)C1
InChIInChI=1S/C17H23N3O/c1-17(21-2)8-5-9-20(12-17)11-14-10-13-6-3-4-7-15(13)19-16(14)18/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3,(H2,18,19)
InChIKeyMGQMBQMAQOGHLV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds3

About 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine

3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine (PubChem CID 107394991) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
PubChem CID107394991
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
SMILESCOC1(C)CCCN(Cc2cc3ccccc3nc2N)C1
InChIInChI=1S/C17H23N3O/c1-17(21-2)8-5-9-20(12-17)11-14-10-13-6-3-4-7-15(13)19-16(14)18/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3,(H2,18,19)
InChIKeyMGQMBQMAQOGHLV-UHFFFAOYSA-N
XLogP2.82
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
3-(3-methoxy-3-methylpiperidin-1-yl)quinoxalin-2-amine
CID 107396287
3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
CID 62178935
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
CID 167795344
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394965
1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114681766
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
CID 62182409
3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine
CID 63634223

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine (CID 107394991) is 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine is COC1(C)CCCN(Cc2cc3ccccc3nc2N)C1.
What is the InChIKey of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine?
The InChIKey is MGQMBQMAQOGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(21-2)8-5-9-20(12-17)11-14-10-13-6-3-4-7-15(13)19-16(14)18/h3-4,6-7,10H,5,8-9,11-12H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine?
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 107394991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).