3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol

C19H26N2O — CID 74230838

IUPAC3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol
SMILESCc1ccc(CN2CCCCC2CCCO)c2cccnc12
InChIInChI=1S/C19H26N2O/c1-15-9-10-16(18-8-4-11-20-19(15)18)14-21-12-3-2-6-17(21)7-5-13-22/h4,8-11,17,22H,2-3,5-7,12-14H2,1H3
InChIKeyWFDUUCKPPYJDMK-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.67
Rot. Bonds5

About 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol

3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol (PubChem CID 74230838) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol
PubChem CID74230838
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol
SMILESCc1ccc(CN2CCCCC2CCCO)c2cccnc12
InChIInChI=1S/C19H26N2O/c1-15-9-10-16(18-8-4-11-20-19(15)18)14-21-12-3-2-6-17(21)7-5-13-22/h4,8-11,17,22H,2-3,5-7,12-14H2,1H3
InChIKeyWFDUUCKPPYJDMK-UHFFFAOYSA-N
XLogP3.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol (CID 74230838) is 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol is Cc1ccc(CN2CCCCC2CCCO)c2cccnc12.
What is the InChIKey of 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol?
The InChIKey is WFDUUCKPPYJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15-9-10-16(18-8-4-11-20-19(15)18)14-21-12-3-2-6-17(21)7-5-13-22/h4,8-11,17,22H,2-3,5-7,12-14H2,1H3.
What are the key properties of 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol?
3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol has a molecular weight of 298.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(8-methylquinolin-5-yl)methyl]piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 74230838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).