1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol

C18H22F2N2O2 — CID 133397728

IUPAC1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(C(C)O)C2)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C18H22F2N2O2/c1-11-8-17(22-7-3-4-13(10-22)12(2)23)15-9-14(24-18(19)20)5-6-16(15)21-11/h5-6,8-9,12-13,18,23H,3-4,7,10H2,1-2H3
InChIKeyXTSFQSWWCZEGLH-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.74
Rot. Bonds4

About 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol

1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol (PubChem CID 133397728) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol
PubChem CID133397728
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(C(C)O)C2)c2cc(OC(F)F)ccc2n1
InChIInChI=1S/C18H22F2N2O2/c1-11-8-17(22-7-3-4-13(10-22)12(2)23)15-9-14(24-18(19)20)5-6-16(15)21-11/h5-6,8-9,12-13,18,23H,3-4,7,10H2,1-2H3
InChIKeyXTSFQSWWCZEGLH-UHFFFAOYSA-N
XLogP3.74
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol (CID 133397728) is 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol is Cc1cc(N2CCCC(C(C)O)C2)c2cc(OC(F)F)ccc2n1.
What is the InChIKey of 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is XTSFQSWWCZEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-11-8-17(22-7-3-4-13(10-22)12(2)23)15-9-14(24-18(19)20)5-6-16(15)21-11/h5-6,8-9,12-13,18,23H,3-4,7,10H2,1-2H3.
What are the key properties of 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol?
1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 336.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 133397728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).