4-(2-aminopropyl)piperazine-1-carbaldehyde

C8H17N3O — CID 21054639

IUPAC4-(2-aminopropyl)piperazine-1-carbaldehyde
SMILESCC(N)CN1CCN(C=O)CC1
InChIInChI=1S/C8H17N3O/c1-8(9)6-10-2-4-11(7-12)5-3-10/h7-8H,2-6,9H2,1H3
InChIKeyZBEKKEFLTMRNFU-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.89
Rot. Bonds3

About 4-(2-aminopropyl)piperazine-1-carbaldehyde

4-(2-aminopropyl)piperazine-1-carbaldehyde (PubChem CID 21054639) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(2-aminopropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-aminopropyl)piperazine-1-carbaldehyde
PubChem CID21054639
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(2-aminopropyl)piperazine-1-carbaldehyde
SMILESCC(N)CN1CCN(C=O)CC1
InChIInChI=1S/C8H17N3O/c1-8(9)6-10-2-4-11(7-12)5-3-10/h7-8H,2-6,9H2,1H3
InChIKeyZBEKKEFLTMRNFU-UHFFFAOYSA-N
XLogP-0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-aminopropyl)piperazin-1-yl]ethanone
CID 16787068
4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
CID 3246248
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
CID 89260021
(2R,4R)-2,4-bis[4-(2-aminopropyl)piperazin-1-yl]pentan-3-one
CID 151842926
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
oxalic acid;platinum;1-pyrrolidin-1-ylpropan-2-amine
CID 88639332
4-(methoxymethyl)piperazine-1-carbaldehyde
CID 89339450
(2R)-1-(6-azaspiro[2.5]octan-6-yl)propan-2-amine
CID 122669555
1-[(2R)-2-aminopropyl]piperidin-4-ol
CID 130939157
4-(3-aminopropyl)piperazine-1-carbaldehyde
CID 21054641

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-aminopropyl)piperazine-1-carbaldehyde (CID 21054639) is 4-(2-aminopropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-aminopropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-aminopropyl)piperazine-1-carbaldehyde is CC(N)CN1CCN(C=O)CC1.
What is the InChIKey of 4-(2-aminopropyl)piperazine-1-carbaldehyde?
The InChIKey is ZBEKKEFLTMRNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(9)6-10-2-4-11(7-12)5-3-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 4-(2-aminopropyl)piperazine-1-carbaldehyde?
4-(2-aminopropyl)piperazine-1-carbaldehyde has a molecular weight of 171.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 21054639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).