1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde

C15H19N3O — CID 82164234

IUPAC1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde
SMILESCN1CCN(Cn2cc(C=O)c3ccccc32)CC1
InChIInChI=1S/C15H19N3O/c1-16-6-8-17(9-7-16)12-18-10-13(11-19)14-4-2-3-5-15(14)18/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJLJKRHXTLWMBGG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.66
Rot. Bonds3

About 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde

1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde (PubChem CID 82164234) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde
PubChem CID82164234
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde
SMILESCN1CCN(Cn2cc(C=O)c3ccccc32)CC1
InChIInChI=1S/C15H19N3O/c1-16-6-8-17(9-7-16)12-18-10-13(11-19)14-4-2-3-5-15(14)18/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJLJKRHXTLWMBGG-UHFFFAOYSA-N
XLogP1.66
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]indole-3-carbaldehyde
CID 82164226
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
6-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carbaldehyde
CID 82885893
1-(3-hydroxy-3-methylbutyl)indole-3-carbaldehyde
CID 79355612
2-(3-formylindol-1-yl)acetate
CID 3544186
1-(2-phenylsulfanylethyl)indole-3-carbaldehyde
CID 79227626
1-[(4-methylpiperazin-1-yl)methyl]indole
CID 15851967
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 820162
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 951768
1-[2-(4-methylphenyl)-2-oxoethyl]indole-3-carbaldehyde
CID 176509047
1-[(2S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropyl]indole-3-carbaldehyde
CID 7372032

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde (CID 82164234) is 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde is CN1CCN(Cn2cc(C=O)c3ccccc32)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde?
The InChIKey is JLJKRHXTLWMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-6-8-17(9-7-16)12-18-10-13(11-19)14-4-2-3-5-15(14)18/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde?
1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)methyl]indole-3-carbaldehyde is sourced from PubChem (CID 82164234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).