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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Related Compounds

N-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]-N-methylethanesulfonamide
CID 133437703
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
N-[1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]acetamide
CID 84600217
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
CID 133315366
[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
CID 61256254
6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
CID 133304507
4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 154755885
[(3S,4R)-1-(2,3-dimethylquinolin-4-yl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120581462
3-[methyl-[1-(4-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]amino]propan-1-ol
CID 133315438
1-(3-ethyl-2-methylquinolin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048463
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947

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).