6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline

C23H24F2N2 — CID 134136119

IUPAC6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline
SMILESFC1(F)CCN(Cc2ccc3ncccc3c2)CC1CCc1ccccc1
InChIInChI=1S/C23H24F2N2/c24-23(25)12-14-27(17-21(23)10-8-18-5-2-1-3-6-18)16-19-9-11-22-20(15-19)7-4-13-26-22/h1-7,9,11,13,15,21H,8,10,12,14,16-17H2
InChIKeyIVAXBUQWFBWBBO-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.32
Rot. Bonds5

About 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline

6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline (PubChem CID 134136119) has the molecular formula C23H24F2N2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline
PubChem CID134136119
Molecular FormulaC23H24F2N2
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline
SMILESFC1(F)CCN(Cc2ccc3ncccc3c2)CC1CCc1ccccc1
InChIInChI=1S/C23H24F2N2/c24-23(25)12-14-27(17-21(23)10-8-18-5-2-1-3-6-18)16-19-9-11-22-20(15-19)7-4-13-26-22/h1-7,9,11,13,15,21H,8,10,12,14,16-17H2
InChIKeyIVAXBUQWFBWBBO-UHFFFAOYSA-N
XLogP5.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline (CID 134136119) is 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline is FC1(F)CCN(Cc2ccc3ncccc3c2)CC1CCc1ccccc1.
What is the InChIKey of 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline?
The InChIKey is IVAXBUQWFBWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2/c24-23(25)12-14-27(17-21(23)10-8-18-5-2-1-3-6-18)16-19-9-11-22-20(15-19)7-4-13-26-22/h1-7,9,11,13,15,21H,8,10,12,14,16-17H2.
What are the key properties of 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline?
6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline has a molecular weight of 366.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 134136119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).