2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

C19H30N2O — CID 11516322

IUPAC2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
InChIKeyRBIWQPWBRGMJJX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.32
Rot. Bonds6

About 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline (PubChem CID 11516322) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
PubChem CID11516322
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
InChIKeyRBIWQPWBRGMJJX-UHFFFAOYSA-N
XLogP3.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline (CID 11516322) is 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline is CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1.
What is the InChIKey of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The InChIKey is RBIWQPWBRGMJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3.
What are the key properties of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline has a molecular weight of 302.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11516322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).