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

C17H23N3O — CID 62182388

IUPAC3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CCC(OC)CC1
InChIInChI=1S/C17H23N3O/c1-18-17-14(11-13-5-3-4-6-16(13)19-17)12-20-9-7-15(21-2)8-10-20/h3-6,11,15H,7-10,12H2,1-2H3,(H,18,19)
InChIKeyCSXLNBNJWRKTQO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.89
Rot. Bonds4

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

3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine (PubChem CID 62182388) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
PubChem CID62182388
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CN1CCC(OC)CC1
InChIInChI=1S/C17H23N3O/c1-18-17-14(11-13-5-3-4-6-16(13)19-17)12-20-9-7-15(21-2)8-10-20/h3-6,11,15H,7-10,12H2,1-2H3,(H,18,19)
InChIKeyCSXLNBNJWRKTQO-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-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
The IUPAC name of 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine (CID 62182388) is 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
The canonical SMILES for 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine is CNc1nc2ccccc2cc1CN1CCC(OC)CC1.
What is the InChIKey of 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
The InChIKey is CSXLNBNJWRKTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-17-14(11-13-5-3-4-6-16(13)19-17)12-20-9-7-15(21-2)8-10-20/h3-6,11,15H,7-10,12H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine?
3-[(4-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-[(4-methoxypiperidin-1-yl)methyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 62182388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).