4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde

C18H24N2O3 — CID 110832251

IUPAC4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde
SMILESCOc1cc(OC)c2c(C=O)cn(CCN3CCCCC3)c2c1
InChIInChI=1S/C18H24N2O3/c1-22-15-10-16-18(17(11-15)23-2)14(13-21)12-20(16)9-8-19-6-4-3-5-7-19/h10-13H,3-9H2,1-2H3
InChIKeyLRKLKNQOCJDEDC-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.96
Rot. Bonds6

About 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde

4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde (PubChem CID 110832251) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde
PubChem CID110832251
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde
SMILESCOc1cc(OC)c2c(C=O)cn(CCN3CCCCC3)c2c1
InChIInChI=1S/C18H24N2O3/c1-22-15-10-16-18(17(11-15)23-2)14(13-21)12-20(16)9-8-19-6-4-3-5-7-19/h10-13H,3-9H2,1-2H3
InChIKeyLRKLKNQOCJDEDC-UHFFFAOYSA-N
XLogP2.96
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde?
The IUPAC name of 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde (CID 110832251) is 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde.
What is the SMILES notation for 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde?
The canonical SMILES for 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde is COc1cc(OC)c2c(C=O)cn(CCN3CCCCC3)c2c1.
What is the InChIKey of 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde?
The InChIKey is LRKLKNQOCJDEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-22-15-10-16-18(17(11-15)23-2)14(13-21)12-20(16)9-8-19-6-4-3-5-7-19/h10-13H,3-9H2,1-2H3.
What are the key properties of 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde?
4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde has a molecular weight of 316.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-(2-piperidin-1-ylethyl)indole-3-carbaldehyde is sourced from PubChem (CID 110832251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).