(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol

C19H24N2O — CID 10469865

IUPAC(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol
SMILESC=C[C@H]1CNCC[C@H]1CC[C@H](O)c1ccnc2ccccc12
InChIInChI=1S/C19H24N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,19-20,22H,1,7-9,11,13H2/t14-,15+,19-/m0/s1
InChIKeyIIBQKFKYTJHZOZ-KHYOSLBOSA-N
MW296.41 g/mol
LogP3.46
Rot. Bonds5

About (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol

(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol (PubChem CID 10469865) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol
PubChem CID10469865
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol
SMILESC=C[C@H]1CNCC[C@H]1CC[C@H](O)c1ccnc2ccccc12
InChIInChI=1S/C19H24N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,19-20,22H,1,7-9,11,13H2/t14-,15+,19-/m0/s1
InChIKeyIIBQKFKYTJHZOZ-KHYOSLBOSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol?
The IUPAC name of (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol (CID 10469865) is (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol.
What is the SMILES notation for (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol?
The canonical SMILES for (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol is C=C[C@H]1CNCC[C@H]1CC[C@H](O)c1ccnc2ccccc12.
What is the InChIKey of (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol?
The InChIKey is IIBQKFKYTJHZOZ-KHYOSLBOSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-14-13-20-11-9-15(14)7-8-19(22)17-10-12-21-18-6-4-3-5-16(17)18/h2-6,10,12,14-15,19-20,22H,1,7-9,11,13H2/t14-,15+,19-/m0/s1.
What are the key properties of (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol?
(1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-ol is sourced from PubChem (CID 10469865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).