1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol

C19H22N2O — CID 52944521

IUPAC1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol
SMILESCC1CC(O)(C#Cc2cccc3ncccc23)C(C)CN1C
InChIInChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-16-6-4-8-18-17(16)7-5-11-20-18/h4-8,11,14-15,22H,12-13H2,1-3H3
InChIKeyDZBYCVNSQVIDBS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.68
Rot. Bonds

About 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol

1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol (PubChem CID 52944521) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol
PubChem CID52944521
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol
SMILESCC1CC(O)(C#Cc2cccc3ncccc23)C(C)CN1C
InChIInChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-16-6-4-8-18-17(16)7-5-11-20-18/h4-8,11,14-15,22H,12-13H2,1-3H3
InChIKeyDZBYCVNSQVIDBS-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol?
The IUPAC name of 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol (CID 52944521) is 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol.
What is the SMILES notation for 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol?
The canonical SMILES for 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol is CC1CC(O)(C#Cc2cccc3ncccc23)C(C)CN1C.
What is the InChIKey of 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol?
The InChIKey is DZBYCVNSQVIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-16-6-4-8-18-17(16)7-5-11-20-18/h4-8,11,14-15,22H,12-13H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol?
1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol has a molecular weight of 294.40 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(2-quinolin-5-ylethynyl)piperidin-4-ol is sourced from PubChem (CID 52944521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).