4-(3-aminopropyl)piperazine-1-carbaldehyde

C8H17N3O — CID 21054641

IUPAC4-(3-aminopropyl)piperazine-1-carbaldehyde
SMILESNCCCN1CCN(C=O)CC1
InChIInChI=1S/C8H17N3O/c9-2-1-3-10-4-6-11(8-12)7-5-10/h8H,1-7,9H2
InChIKeyYHMOFQCKRWUQGZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.89
Rot. Bonds4

About 4-(3-aminopropyl)piperazine-1-carbaldehyde

4-(3-aminopropyl)piperazine-1-carbaldehyde (PubChem CID 21054641) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(3-aminopropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-aminopropyl)piperazine-1-carbaldehyde
PubChem CID21054641
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-(3-aminopropyl)piperazine-1-carbaldehyde
SMILESNCCCN1CCN(C=O)CC1
InChIInChI=1S/C8H17N3O/c9-2-1-3-10-4-6-11(8-12)7-5-10/h8H,1-7,9H2
InChIKeyYHMOFQCKRWUQGZ-UHFFFAOYSA-N
XLogP-0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 79155437
2-(4-formylpiperazin-1-yl)ethyl formate
CID 13468187
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
CID 63653557
2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
CID 143019040
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hexanedioate
CID 21124417
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79152798
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-aminopropyl)piperazine-1-carbaldehyde (CID 21054641) is 4-(3-aminopropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-aminopropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-aminopropyl)piperazine-1-carbaldehyde is NCCCN1CCN(C=O)CC1.
What is the InChIKey of 4-(3-aminopropyl)piperazine-1-carbaldehyde?
The InChIKey is YHMOFQCKRWUQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-2-1-3-10-4-6-11(8-12)7-5-10/h8H,1-7,9H2.
What are the key properties of 4-(3-aminopropyl)piperazine-1-carbaldehyde?
4-(3-aminopropyl)piperazine-1-carbaldehyde has a molecular weight of 171.24 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 21054641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).