3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine

C17H23N3O — CID 102966730

IUPAC3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CCCC(OC)C1
InChIInChI=1S/C17H23N3O/c1-18-17-14(10-13-6-3-4-8-16(13)19-17)11-20-9-5-7-15(12-20)21-2/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,18,19)
InChIKeyPIXZZVDPZROLTQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds4

About 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine

3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine (PubChem CID 102966730) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
PubChem CID102966730
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CCCC(OC)C1
InChIInChI=1S/C17H23N3O/c1-18-17-14(10-13-6-3-4-8-16(13)19-17)11-20-9-5-7-15(12-20)21-2/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,18,19)
InChIKeyPIXZZVDPZROLTQ-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
The IUPAC name of 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine (CID 102966730) is 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
The canonical SMILES for 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine is CNc1nc2ccccc2cc1CN1CCCC(OC)C1.
What is the InChIKey of 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
The InChIKey is PIXZZVDPZROLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-17-14(10-13-6-3-4-8-16(13)19-17)11-20-9-5-7-15(12-20)21-2/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,18,19).
What are the key properties of 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 102966730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).