pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol

C23H27N3O — CID 134698380

IUPACpyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol
SMILESCc1ccc2c(C)cc(N3CCC(C(O)c4ccccn4)CC3)nc2c1C
InChIInChI=1S/C23H27N3O/c1-15-7-8-19-16(2)14-21(25-22(19)17(15)3)26-12-9-18(10-13-26)23(27)20-6-4-5-11-24-20/h4-8,11,14,18,23,27H,9-10,12-13H2,1-3H3
InChIKeyCHQNOUUBPHUWTB-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.51
Rot. Bonds3

About pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol

pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol (PubChem CID 134698380) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol
PubChem CID134698380
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Namepyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol
SMILESCc1ccc2c(C)cc(N3CCC(C(O)c4ccccn4)CC3)nc2c1C
InChIInChI=1S/C23H27N3O/c1-15-7-8-19-16(2)14-21(25-22(19)17(15)3)26-12-9-18(10-13-26)23(27)20-6-4-5-11-24-20/h4-8,11,14,18,23,27H,9-10,12-13H2,1-3H3
InChIKeyCHQNOUUBPHUWTB-UHFFFAOYSA-N
XLogP4.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol (CID 134698380) is pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol is Cc1ccc2c(C)cc(N3CCC(C(O)c4ccccn4)CC3)nc2c1C.
What is the InChIKey of pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol?
The InChIKey is CHQNOUUBPHUWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-7-8-19-16(2)14-21(25-22(19)17(15)3)26-12-9-18(10-13-26)23(27)20-6-4-5-11-24-20/h4-8,11,14,18,23,27H,9-10,12-13H2,1-3H3.
What are the key properties of pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol has a molecular weight of 361.49 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-(4,7,8-trimethylquinolin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 134698380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).