2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol

C19H26ClN3O — CID 56779974

IUPAC2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1cc(Cl)cc2cccnc12)CC1CCN(CCO)CC1
InChIInChI=1S/C19H26ClN3O/c1-22(13-15-4-7-23(8-5-15)9-10-24)14-17-12-18(20)11-16-3-2-6-21-19(16)17/h2-3,6,11-12,15,24H,4-5,7-10,13-14H2,1H3
InChIKeyYMRLEBOEPVTELN-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.02
Rot. Bonds6

About 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 56779974) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID56779974
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1cc(Cl)cc2cccnc12)CC1CCN(CCO)CC1
InChIInChI=1S/C19H26ClN3O/c1-22(13-15-4-7-23(8-5-15)9-10-24)14-17-12-18(20)11-16-3-2-6-21-19(16)17/h2-3,6,11-12,15,24H,4-5,7-10,13-14H2,1H3
InChIKeyYMRLEBOEPVTELN-UHFFFAOYSA-N
XLogP3.02
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol (CID 56779974) is 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol is CN(Cc1cc(Cl)cc2cccnc12)CC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is YMRLEBOEPVTELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-22(13-15-4-7-23(8-5-15)9-10-24)14-17-12-18(20)11-16-3-2-6-21-19(16)17/h2-3,6,11-12,15,24H,4-5,7-10,13-14H2,1H3.
What are the key properties of 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 347.89 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-chloroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56779974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).