2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine

C16H21N3O — CID 102963805

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine
SMILESCOC1CCCN(Cc2cc(N)c3ccccc3n2)C1
InChIInChI=1S/C16H21N3O/c1-20-13-5-4-8-19(11-13)10-12-9-15(17)14-6-2-3-7-16(14)18-12/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H2,17,18)
InChIKeyZSBDSQIESINPTN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds3

About 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine

2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine (PubChem CID 102963805) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine
PubChem CID102963805
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine
SMILESCOC1CCCN(Cc2cc(N)c3ccccc3n2)C1
InChIInChI=1S/C16H21N3O/c1-20-13-5-4-8-19(11-13)10-12-9-15(17)14-6-2-3-7-16(14)18-12/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H2,17,18)
InChIKeyZSBDSQIESINPTN-UHFFFAOYSA-N
XLogP2.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 113319913
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine
CID 115485907
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724
3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
CID 102966730
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 102956438
7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine
CID 126467058
2-(methoxymethyl)quinolin-4-amine
CID 62320068
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
2-[(cyclobutylamino)methyl]quinolin-4-amine
CID 115485862
2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine
CID 114593810

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine (CID 102963805) is 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine is COC1CCCN(Cc2cc(N)c3ccccc3n2)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine?
The InChIKey is ZSBDSQIESINPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-13-5-4-8-19(11-13)10-12-9-15(17)14-6-2-3-7-16(14)18-12/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H2,17,18).
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine?
2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 102963805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).