1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol

C19H25N3O — CID 154460221

IUPAC1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol
SMILESOC1CN(CCC2CCN(c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C19H25N3O/c23-17-13-21(14-17)10-7-15-8-11-22(12-9-15)19-6-5-16-3-1-2-4-18(16)20-19/h1-6,15,17,23H,7-14H2
InChIKeyKIDYXOWMRPKQTJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol

1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol (PubChem CID 154460221) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol
PubChem CID154460221
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol
SMILESOC1CN(CCC2CCN(c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C19H25N3O/c23-17-13-21(14-17)10-7-15-8-11-22(12-9-15)19-6-5-16-3-1-2-4-18(16)20-19/h1-6,15,17,23H,7-14H2
InChIKeyKIDYXOWMRPKQTJ-UHFFFAOYSA-N
XLogP2.52
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-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 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol (CID 154460221) is 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol is OC1CN(CCC2CCN(c3ccc4ccccc4n3)CC2)C1.
What is the InChIKey of 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol?
The InChIKey is KIDYXOWMRPKQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-17-13-21(14-17)10-7-15-8-11-22(12-9-15)19-6-5-16-3-1-2-4-18(16)20-19/h1-6,15,17,23H,7-14H2.
What are the key properties of 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol?
1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol has a molecular weight of 311.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol is sourced from PubChem (CID 154460221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).