5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline

C20H28N2O — CID 70734006

IUPAC5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline
SMILESCOCCCC1CCCN(Cc2c(C)ccc3ncccc23)C1
InChIInChI=1S/C20H28N2O/c1-16-9-10-20-18(8-3-11-21-20)19(16)15-22-12-4-6-17(14-22)7-5-13-23-2/h3,8-11,17H,4-7,12-15H2,1-2H3
InChIKeyZDWPTPOWAKFKBV-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.18
Rot. Bonds6

About 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline

5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline (PubChem CID 70734006) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline.

Molecular Properties

Compound Name5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline
PubChem CID70734006
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline
SMILESCOCCCC1CCCN(Cc2c(C)ccc3ncccc23)C1
InChIInChI=1S/C20H28N2O/c1-16-9-10-20-18(8-3-11-21-20)19(16)15-22-12-4-6-17(14-22)7-5-13-23-2/h3,8-11,17H,4-7,12-15H2,1-2H3
InChIKeyZDWPTPOWAKFKBV-UHFFFAOYSA-N
XLogP4.18
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline?
The IUPAC name of 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline (CID 70734006) is 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline.
What is the SMILES notation for 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline?
The canonical SMILES for 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline is COCCCC1CCCN(Cc2c(C)ccc3ncccc23)C1.
What is the InChIKey of 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline?
The InChIKey is ZDWPTPOWAKFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16-9-10-20-18(8-3-11-21-20)19(16)15-22-12-4-6-17(14-22)7-5-13-23-2/h3,8-11,17H,4-7,12-15H2,1-2H3.
What are the key properties of 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline?
5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline has a molecular weight of 312.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-methoxypropyl)piperidin-1-yl]methyl]-6-methylquinoline is sourced from PubChem (CID 70734006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).