4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol

C20H28N2O2 — CID 145277984

IUPAC4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol
SMILESC=CC1CNCCC1C(C)Cc1ccnc2ccc(O)cc12.CO
InChIInChI=1S/C19H24N2O.CH4O/c1-3-14-12-20-8-7-17(14)13(2)10-15-6-9-21-19-5-4-16(22)11-18(15)19;1-2/h3-6,9,11,13-14,17,20,22H,1,7-8,10,12H2,2H3;2H,1H3
InChIKeyWZYOYBANDRYIIS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.14
Rot. Bonds4

About 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol

4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol (PubChem CID 145277984) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol.

Molecular Properties

Compound Name4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol
PubChem CID145277984
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol
SMILESC=CC1CNCCC1C(C)Cc1ccnc2ccc(O)cc12.CO
InChIInChI=1S/C19H24N2O.CH4O/c1-3-14-12-20-8-7-17(14)13(2)10-15-6-9-21-19-5-4-16(22)11-18(15)19;1-2/h3-6,9,11,13-14,17,20,22H,1,7-8,10,12H2,2H3;2H,1H3
InChIKeyWZYOYBANDRYIIS-UHFFFAOYSA-N
XLogP3.14
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol?
The IUPAC name of 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol (CID 145277984) is 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol.
What is the SMILES notation for 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol?
The canonical SMILES for 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol is C=CC1CNCCC1C(C)Cc1ccnc2ccc(O)cc12.CO.
What is the InChIKey of 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol?
The InChIKey is WZYOYBANDRYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.CH4O/c1-3-14-12-20-8-7-17(14)13(2)10-15-6-9-21-19-5-4-16(22)11-18(15)19;1-2/h3-6,9,11,13-14,17,20,22H,1,7-8,10,12H2,2H3;2H,1H3.
What are the key properties of 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol?
4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol has a molecular weight of 328.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethenylpiperidin-4-yl)propyl]quinolin-6-ol;methanol is sourced from PubChem (CID 145277984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).