1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine

C24H29N3O — CID 119106670

IUPAC1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
SMILESCOCc1ccccc1CNCc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C24H29N3O/c1-28-18-21-11-4-3-10-20(21)16-25-17-22-15-19-9-5-6-12-23(19)26-24(22)27-13-7-2-8-14-27/h3-6,9-12,15,25H,2,7-8,13-14,16-18H2,1H3
InChIKeyXGCFHIWNKLXSIL-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.66
Rot. Bonds7

About 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine

1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine (PubChem CID 119106670) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
PubChem CID119106670
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
SMILESCOCc1ccccc1CNCc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C24H29N3O/c1-28-18-21-11-4-3-10-20(21)16-25-17-22-15-19-9-5-6-12-23(19)26-24(22)27-13-7-2-8-14-27/h3-6,9-12,15,25H,2,7-8,13-14,16-18H2,1H3
InChIKeyXGCFHIWNKLXSIL-UHFFFAOYSA-N
XLogP4.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol
CID 96538245
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 119127944
1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119106622
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
CID 146125966
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine
CID 119106594
1-cyclopropyl-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]piperidin-4-amine
CID 119106658

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine (CID 119106670) is 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine is COCc1ccccc1CNCc1cc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine?
The InChIKey is XGCFHIWNKLXSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-28-18-21-11-4-3-10-20(21)16-25-17-22-15-19-9-5-6-12-23(19)26-24(22)27-13-7-2-8-14-27/h3-6,9-12,15,25H,2,7-8,13-14,16-18H2,1H3.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine?
1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine has a molecular weight of 375.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine is sourced from PubChem (CID 119106670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).