1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol

C20H27N3O — CID 72931158

IUPAC1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCc1ccc2nccc(N3CCC(N4CCC(O)CC4)CC3)c2c1
InChIInChI=1S/C20H27N3O/c1-15-2-3-19-18(14-15)20(4-9-21-19)23-10-5-16(6-11-23)22-12-7-17(24)8-13-22/h2-4,9,14,16-17,24H,5-8,10-13H2,1H3
InChIKeyLEWZPHSHSDPTCK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.97
Rot. Bonds2

About 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol

1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol (PubChem CID 72931158) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
PubChem CID72931158
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
SMILESCc1ccc2nccc(N3CCC(N4CCC(O)CC4)CC3)c2c1
InChIInChI=1S/C20H27N3O/c1-15-2-3-19-18(14-15)20(4-9-21-19)23-10-5-16(6-11-23)22-12-7-17(24)8-13-22/h2-4,9,14,16-17,24H,5-8,10-13H2,1H3
InChIKeyLEWZPHSHSDPTCK-UHFFFAOYSA-N
XLogP2.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-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-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol (CID 72931158) is 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol is Cc1ccc2nccc(N3CCC(N4CCC(O)CC4)CC3)c2c1.
What is the InChIKey of 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
The InChIKey is LEWZPHSHSDPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-2-3-19-18(14-15)20(4-9-21-19)23-10-5-16(6-11-23)22-12-7-17(24)8-13-22/h2-4,9,14,16-17,24H,5-8,10-13H2,1H3.
What are the key properties of 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol?
1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol has a molecular weight of 325.46 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72931158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).