6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline

C17H21ClN2O — CID 82684729

IUPAC6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
SMILESClCCOC1CCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H21ClN2O/c18-7-11-21-16-5-9-20(10-6-16)13-14-3-4-17-15(12-14)2-1-8-19-17/h1-4,8,12,16H,5-7,9-11,13H2
InChIKeyXCXCZLMVOHFURV-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.45
Rot. Bonds5

About 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline

6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline (PubChem CID 82684729) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
PubChem CID82684729
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
SMILESClCCOC1CCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H21ClN2O/c18-7-11-21-16-5-9-20(10-6-16)13-14-3-4-17-15(12-14)2-1-8-19-17/h1-4,8,12,16H,5-7,9-11,13H2
InChIKeyXCXCZLMVOHFURV-UHFFFAOYSA-N
XLogP3.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline (CID 82684729) is 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline is ClCCOC1CCN(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline?
The InChIKey is XCXCZLMVOHFURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-7-11-21-16-5-9-20(10-6-16)13-14-3-4-17-15(12-14)2-1-8-19-17/h1-4,8,12,16H,5-7,9-11,13H2.
What are the key properties of 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline?
6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline has a molecular weight of 304.82 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 82684729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).