2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline

C30H32N2 — CID 3062095

IUPAC2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline
SMILESc1ccc(CCN2CCC(CCc3cc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C30H32N2/c1-3-9-24(10-4-1)17-20-32-21-18-25(19-22-32)15-16-27-23-30(26-11-5-2-6-12-26)31-29-14-8-7-13-28(27)29/h1-14,23,25H,15-22H2
InChIKeyMHCRMJVJNZDKMJ-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.79
Rot. Bonds7

About 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline

2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline (PubChem CID 3062095) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline
PubChem CID3062095
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline
SMILESc1ccc(CCN2CCC(CCc3cc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C30H32N2/c1-3-9-24(10-4-1)17-20-32-21-18-25(19-22-32)15-16-27-23-30(26-11-5-2-6-12-26)31-29-14-8-7-13-28(27)29/h1-14,23,25H,15-22H2
InChIKeyMHCRMJVJNZDKMJ-UHFFFAOYSA-N
XLogP6.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline?
The IUPAC name of 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline (CID 3062095) is 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline.
What is the SMILES notation for 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline?
The canonical SMILES for 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline is c1ccc(CCN2CCC(CCc3cc(-c4ccccc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline?
The InChIKey is MHCRMJVJNZDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-3-9-24(10-4-1)17-20-32-21-18-25(19-22-32)15-16-27-23-30(26-11-5-2-6-12-26)31-29-14-8-7-13-28(27)29/h1-14,23,25H,15-22H2.
What are the key properties of 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline?
2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline has a molecular weight of 420.60 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline is sourced from PubChem (CID 3062095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).