1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride

C20H31Cl2N3O2 — CID 53421993

IUPAC1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride
SMILESCOc1cc(NCC(O)CN2CCC(C)CC2C)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-14-6-8-23(15(2)9-14)13-17(24)12-22-19-11-18(25-3)10-16-5-4-7-21-20(16)19;;/h4-5,7,10-11,14-15,17,22,24H,6,8-9,12-13H2,1-3H3;2*1H
InChIKeyUQPPIYABEXPAIH-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.98
Rot. Bonds6

About 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride

1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride (PubChem CID 53421993) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride
PubChem CID53421993
Molecular FormulaC20H31Cl2N3O2
Molecular Weight416.39 g/mol
Exact Mass415.18
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride
SMILESCOc1cc(NCC(O)CN2CCC(C)CC2C)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C20H29N3O2.2ClH/c1-14-6-8-23(15(2)9-14)13-17(24)12-22-19-11-18(25-3)10-16-5-4-7-21-20(16)19;;/h4-5,7,10-11,14-15,17,22,24H,6,8-9,12-13H2,1-3H3;2*1H
InChIKeyUQPPIYABEXPAIH-UHFFFAOYSA-N
XLogP3.98
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride (CID 53421993) is 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride is COc1cc(NCC(O)CN2CCC(C)CC2C)c2ncccc2c1.Cl.Cl.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride?
The InChIKey is UQPPIYABEXPAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.2ClH/c1-14-6-8-23(15(2)9-14)13-17(24)12-22-19-11-18(25-3)10-16-5-4-7-21-20(16)19;;/h4-5,7,10-11,14-15,17,22,24H,6,8-9,12-13H2,1-3H3;2*1H.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride?
1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride has a molecular weight of 416.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidin-1-yl)-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 53421993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).