3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole

C19H28N2O — CID 70847021

IUPAC3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole
SMILESCCCOCn1cc(CC)c2c(N3CCCCC3)cccc21
InChIInChI=1S/C19H28N2O/c1-3-13-22-15-21-14-16(4-2)19-17(9-8-10-18(19)21)20-11-6-5-7-12-20/h8-10,14H,3-7,11-13,15H2,1-2H3
InChIKeyRPSXYMIKPNYPPF-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.58
Rot. Bonds6

About 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole

3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole (PubChem CID 70847021) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole.

Molecular Properties

Compound Name3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole
PubChem CID70847021
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole
SMILESCCCOCn1cc(CC)c2c(N3CCCCC3)cccc21
InChIInChI=1S/C19H28N2O/c1-3-13-22-15-21-14-16(4-2)19-17(9-8-10-18(19)21)20-11-6-5-7-12-20/h8-10,14H,3-7,11-13,15H2,1-2H3
InChIKeyRPSXYMIKPNYPPF-UHFFFAOYSA-N
XLogP4.58
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.58
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 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole?
The IUPAC name of 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole (CID 70847021) is 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole.
What is the SMILES notation for 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole?
The canonical SMILES for 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole is CCCOCn1cc(CC)c2c(N3CCCCC3)cccc21.
What is the InChIKey of 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole?
The InChIKey is RPSXYMIKPNYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-3-13-22-15-21-14-16(4-2)19-17(9-8-10-18(19)21)20-11-6-5-7-12-20/h8-10,14H,3-7,11-13,15H2,1-2H3.
What are the key properties of 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole?
3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole has a molecular weight of 300.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-piperidin-1-yl-1-(propoxymethyl)indole is sourced from PubChem (CID 70847021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).