2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde

C16H21N3O — CID 87692327

IUPAC2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde
SMILESCC(C)N1CCN(C=O)C(c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C16H21N3O/c1-12(2)18-7-8-19(11-20)16(10-18)14-3-4-15-13(9-14)5-6-17-15/h3-6,9,11-12,16-17H,7-8,10H2,1-2H3
InChIKeyGDYFWDDTDOLVIV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.39
Rot. Bonds3

About 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde

2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde (PubChem CID 87692327) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde
PubChem CID87692327
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde
SMILESCC(C)N1CCN(C=O)C(c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C16H21N3O/c1-12(2)18-7-8-19(11-20)16(10-18)14-3-4-15-13(9-14)5-6-17-15/h3-6,9,11-12,16-17H,7-8,10H2,1-2H3
InChIKeyGDYFWDDTDOLVIV-UHFFFAOYSA-N
XLogP2.39
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-propan-2-ylpiperazine-1-carbaldehyde?
The IUPAC name of 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde (CID 87692327) is 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde is CC(C)N1CCN(C=O)C(c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde?
The InChIKey is GDYFWDDTDOLVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)18-7-8-19(11-20)16(10-18)14-3-4-15-13(9-14)5-6-17-15/h3-6,9,11-12,16-17H,7-8,10H2,1-2H3.
What are the key properties of 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde?
2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-4-propan-2-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 87692327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).