3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol

C20H29N3O — CID 75503244

IUPAC3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol
SMILESCc1nc2ccccc2c(N2CCC(N(C)CCCO)CC2)c1C
InChIInChI=1S/C20H29N3O/c1-15-16(2)21-19-8-5-4-7-18(19)20(15)23-12-9-17(10-13-23)22(3)11-6-14-24/h4-5,7-8,17,24H,6,9-14H2,1-3H3
InChIKeyOWDLAVHVMUCEDZ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.13
Rot. Bonds5

About 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol

3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol (PubChem CID 75503244) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol
PubChem CID75503244
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol
SMILESCc1nc2ccccc2c(N2CCC(N(C)CCCO)CC2)c1C
InChIInChI=1S/C20H29N3O/c1-15-16(2)21-19-8-5-4-7-18(19)20(15)23-12-9-17(10-13-23)22(3)11-6-14-24/h4-5,7-8,17,24H,6,9-14H2,1-3H3
InChIKeyOWDLAVHVMUCEDZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol (CID 75503244) is 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol is Cc1nc2ccccc2c(N2CCC(N(C)CCCO)CC2)c1C.
What is the InChIKey of 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is OWDLAVHVMUCEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-15-16(2)21-19-8-5-4-7-18(19)20(15)23-12-9-17(10-13-23)22(3)11-6-14-24/h4-5,7-8,17,24H,6,9-14H2,1-3H3.
What are the key properties of 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol?
3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 327.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dimethylquinolin-4-yl)piperidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 75503244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).