1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde

C13H19N3O — CID 174644595

IUPAC1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde
SMILESCCN1CCN(c2cccc(N)c2)C(C=O)C1
InChIInChI=1S/C13H19N3O/c1-2-15-6-7-16(13(9-15)10-17)12-5-3-4-11(14)8-12/h3-5,8,10,13H,2,6-7,9,14H2,1H3
InChIKeyMNGSLURWQKEGPN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde

1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde (PubChem CID 174644595) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde
PubChem CID174644595
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde
SMILESCCN1CCN(c2cccc(N)c2)C(C=O)C1
InChIInChI=1S/C13H19N3O/c1-2-15-6-7-16(13(9-15)10-17)12-5-3-4-11(14)8-12/h3-5,8,10,13H,2,6-7,9,14H2,1H3
InChIKeyMNGSLURWQKEGPN-UHFFFAOYSA-N
XLogP0.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-4-ethylpiperazin-2-one
CID 67479009
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
3-(1-ethylpyrrolidin-3-yl)aniline
CID 46941945
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
CID 153382151
4-[(4-amino-2-pyridinyl)methyl]-1-ethylpiperazine-2-carbaldehyde
CID 174610895
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
(E)-3-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436
3-[3-(4-ethylpiperazin-1-yl)phenyl]-2,2-dimethylpropanal
CID 87694159
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde?
The IUPAC name of 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde (CID 174644595) is 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde.
What is the SMILES notation for 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde?
The canonical SMILES for 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde is CCN1CCN(c2cccc(N)c2)C(C=O)C1.
What is the InChIKey of 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde?
The InChIKey is MNGSLURWQKEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-15-6-7-16(13(9-15)10-17)12-5-3-4-11(14)8-12/h3-5,8,10,13H,2,6-7,9,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde?
1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-ethylpiperazine-2-carbaldehyde is sourced from PubChem (CID 174644595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).