4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline

C27H29N3 — CID 122180809

IUPAC4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline
SMILESc1ccc2c(CC[C@H]3CCC[C@@H](CCc4ccnc5ccccc45)N3)ccnc2c1
InChIInChI=1S/C27H29N3/c1-3-10-26-24(8-1)20(16-18-28-26)12-14-22-6-5-7-23(30-22)15-13-21-17-19-29-27-11-4-2-9-25(21)27/h1-4,8-11,16-19,22-23,30H,5-7,12-15H2/t22-,23+
InChIKeyFLVXXPQHUPSFBW-ZRZAMGCNSA-N
MW395.55 g/mol
LogP5.86
Rot. Bonds6

About 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline

4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline (PubChem CID 122180809) has the molecular formula C27H29N3 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline
PubChem CID122180809
Molecular FormulaC27H29N3
Molecular Weight395.55 g/mol
Exact Mass395.24
IUPAC Name4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline
SMILESc1ccc2c(CC[C@H]3CCC[C@@H](CCc4ccnc5ccccc45)N3)ccnc2c1
InChIInChI=1S/C27H29N3/c1-3-10-26-24(8-1)20(16-18-28-26)12-14-22-6-5-7-23(30-22)15-13-21-17-19-29-27-11-4-2-9-25(21)27/h1-4,8-11,16-19,22-23,30H,5-7,12-15H2/t22-,23+
InChIKeyFLVXXPQHUPSFBW-ZRZAMGCNSA-N
XLogP5.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline?
The IUPAC name of 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline (CID 122180809) is 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline.
What is the SMILES notation for 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline?
The canonical SMILES for 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline is c1ccc2c(CC[C@H]3CCC[C@@H](CCc4ccnc5ccccc45)N3)ccnc2c1.
What is the InChIKey of 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline?
The InChIKey is FLVXXPQHUPSFBW-ZRZAMGCNSA-N. The full InChI is InChI=1S/C27H29N3/c1-3-10-26-24(8-1)20(16-18-28-26)12-14-22-6-5-7-23(30-22)15-13-21-17-19-29-27-11-4-2-9-25(21)27/h1-4,8-11,16-19,22-23,30H,5-7,12-15H2/t22-,23+.
What are the key properties of 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline?
4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline has a molecular weight of 395.55 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-6-(2-quinolin-4-ylethyl)piperidin-2-yl]ethyl]quinoline is sourced from PubChem (CID 122180809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).