4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline

C20H26N2O — CID 3038482

IUPAC4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline
SMILESC=C[C@@H]1CNCC[C@H]1CCCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H26N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3/t15-,16-/m1/s1
InChIKeyXFXANHWIBFMEOY-HZPDHXFCSA-N
MW310.44 g/mol
LogP3.98
Rot. Bonds6

About 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline

4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline (PubChem CID 3038482) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline.

Molecular Properties

Compound Name4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline
PubChem CID3038482
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline
SMILESC=C[C@@H]1CNCC[C@H]1CCCc1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H26N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3/t15-,16-/m1/s1
InChIKeyXFXANHWIBFMEOY-HZPDHXFCSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline?
The IUPAC name of 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline (CID 3038482) is 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline.
What is the SMILES notation for 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline?
The canonical SMILES for 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline is C=C[C@@H]1CNCC[C@H]1CCCc1ccnc2ccc(OC)cc12.
What is the InChIKey of 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline?
The InChIKey is XFXANHWIBFMEOY-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3/t15-,16-/m1/s1.
What are the key properties of 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline?
4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline has a molecular weight of 310.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3S,4R)-3-ethenylpiperidin-4-yl]propyl]-6-methoxyquinoline is sourced from PubChem (CID 3038482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).