3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol

C17H22N2O — CID 114502310

IUPAC3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
SMILESCc1cc(CN2CCC(O)C(C)C2)c2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-12-10-19(8-7-17(12)20)11-14-9-13(2)18-16-6-4-3-5-15(14)16/h3-6,9,12,17,20H,7-8,10-11H2,1-2H3
InChIKeyFRVRENSSHHKMOF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.75
Rot. Bonds2

About 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol

3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol (PubChem CID 114502310) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
PubChem CID114502310
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
SMILESCc1cc(CN2CCC(O)C(C)C2)c2ccccc2n1
InChIInChI=1S/C17H22N2O/c1-12-10-19(8-7-17(12)20)11-14-9-13(2)18-16-6-4-3-5-15(14)16/h3-6,9,12,17,20H,7-8,10-11H2,1-2H3
InChIKeyFRVRENSSHHKMOF-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol (CID 114502310) is 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol is Cc1cc(CN2CCC(O)C(C)C2)c2ccccc2n1.
What is the InChIKey of 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol?
The InChIKey is FRVRENSSHHKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-10-19(8-7-17(12)20)11-14-9-13(2)18-16-6-4-3-5-15(14)16/h3-6,9,12,17,20H,7-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol?
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol has a molecular weight of 270.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114502310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).