4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde

C15H19N3O — CID 91084591

IUPAC4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H19N3O/c19-12-18-9-7-17(8-10-18)6-5-13-11-16-15-4-2-1-3-14(13)15/h1-4,11-12,16H,5-10H2
InChIKeyNNLOUWDUMAENCE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.48
Rot. Bonds4

About 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde

4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde (PubChem CID 91084591) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
PubChem CID91084591
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C15H19N3O/c19-12-18-9-7-17(8-10-18)6-5-13-11-16-15-4-2-1-3-14(13)15/h1-4,11-12,16H,5-10H2
InChIKeyNNLOUWDUMAENCE-UHFFFAOYSA-N
XLogP1.48
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
CID 110608436
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
3-[2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1H-indole
CID 110412529
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde (CID 91084591) is 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde is O=CN1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde?
The InChIKey is NNLOUWDUMAENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-12-18-9-7-17(8-10-18)6-5-13-11-16-15-4-2-1-3-14(13)15/h1-4,11-12,16H,5-10H2.
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde?
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 91084591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).