6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline

C27H31FN2O — CID 25168263

IUPAC6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2cccnc12
InChIInChI=1S/C27H31FN2O/c1-19(25-17-22(20-5-6-20)16-21-4-3-13-29-26(21)25)31-18-27(11-14-30(2)15-12-27)23-7-9-24(28)10-8-23/h3-4,7-10,13,16-17,19-20H,5-6,11-12,14-15,18H2,1-2H3
InChIKeyVKEKRAUMOOVFCC-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.99
Rot. Bonds6

About 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline

6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline (PubChem CID 25168263) has the molecular formula C27H31FN2O and a molecular weight of 418.56 g/mol. Its IUPAC name is 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline.

Molecular Properties

Compound Name6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
PubChem CID25168263
Molecular FormulaC27H31FN2O
Molecular Weight418.56 g/mol
Exact Mass418.24
IUPAC Name6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2cccnc12
InChIInChI=1S/C27H31FN2O/c1-19(25-17-22(20-5-6-20)16-21-4-3-13-29-26(21)25)31-18-27(11-14-30(2)15-12-27)23-7-9-24(28)10-8-23/h3-4,7-10,13,16-17,19-20H,5-6,11-12,14-15,18H2,1-2H3
InChIKeyVKEKRAUMOOVFCC-UHFFFAOYSA-N
XLogP5.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The IUPAC name of 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline (CID 25168263) is 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline.
What is the SMILES notation for 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The canonical SMILES for 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C2CC2)cc2cccnc12.
What is the InChIKey of 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The InChIKey is VKEKRAUMOOVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O/c1-19(25-17-22(20-5-6-20)16-21-4-3-13-29-26(21)25)31-18-27(11-14-30(2)15-12-27)23-7-9-24(28)10-8-23/h3-4,7-10,13,16-17,19-20H,5-6,11-12,14-15,18H2,1-2H3.
What are the key properties of 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline has a molecular weight of 418.56 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline is sourced from PubChem (CID 25168263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).