1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline

C25H34N2O — CID 18986558

IUPAC1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline
SMILESCCN1CCC(CCN2CCC(c3ccc(OC)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H34N2O/c1-3-27-19-15-22(24-6-4-5-7-25(24)27)14-18-26-16-12-21(13-17-26)20-8-10-23(28-2)11-9-20/h4-11,21-22H,3,12-19H2,1-2H3
InChIKeyCNPFTWRIFROVBH-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.28
Rot. Bonds6

About 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline

1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline (PubChem CID 18986558) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline
PubChem CID18986558
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline
SMILESCCN1CCC(CCN2CCC(c3ccc(OC)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H34N2O/c1-3-27-19-15-22(24-6-4-5-7-25(24)27)14-18-26-16-12-21(13-17-26)20-8-10-23(28-2)11-9-20/h4-11,21-22H,3,12-19H2,1-2H3
InChIKeyCNPFTWRIFROVBH-UHFFFAOYSA-N
XLogP5.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline (CID 18986558) is 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline is CCN1CCC(CCN2CCC(c3ccc(OC)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline?
The InChIKey is CNPFTWRIFROVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-27-19-15-22(24-6-4-5-7-25(24)27)14-18-26-16-12-21(13-17-26)20-8-10-23(28-2)11-9-20/h4-11,21-22H,3,12-19H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline?
1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline has a molecular weight of 378.56 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 18986558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).