2-(1H-indol-5-yl)piperidine-1-carbaldehyde

C14H16N2O — CID 102544412

IUPAC2-(1H-indol-5-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O/c17-10-16-8-2-1-3-14(16)12-4-5-13-11(9-12)6-7-15-13/h4-7,9-10,14-15H,1-3,8H2
InChIKeySIPPVHHPGHLKQH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.85
Rot. Bonds2

About 2-(1H-indol-5-yl)piperidine-1-carbaldehyde

2-(1H-indol-5-yl)piperidine-1-carbaldehyde (PubChem CID 102544412) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(1H-indol-5-yl)piperidine-1-carbaldehyde
PubChem CID102544412
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(1H-indol-5-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O/c17-10-16-8-2-1-3-14(16)12-4-5-13-11(9-12)6-7-15-13/h4-7,9-10,14-15H,1-3,8H2
InChIKeySIPPVHHPGHLKQH-UHFFFAOYSA-N
XLogP2.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(1H-indol-5-yl)piperidine-1-carbaldehyde (CID 102544412) is 2-(1H-indol-5-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(1H-indol-5-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(1H-indol-5-yl)piperidine-1-carbaldehyde is O=CN1CCCCC1c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yl)piperidine-1-carbaldehyde?
The InChIKey is SIPPVHHPGHLKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-10-16-8-2-1-3-14(16)12-4-5-13-11(9-12)6-7-15-13/h4-7,9-10,14-15H,1-3,8H2.
What are the key properties of 2-(1H-indol-5-yl)piperidine-1-carbaldehyde?
2-(1H-indol-5-yl)piperidine-1-carbaldehyde has a molecular weight of 228.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 102544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).