3-[4-(3-oxopropyl)piperazin-1-yl]propanal

C10H18N2O2 — CID 137349424

IUPAC3-[4-(3-oxopropyl)piperazin-1-yl]propanal
SMILESO=CCCN1CCN(CCC=O)CC1
InChIInChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2
InChIKeyYNICZMOQZCCMFE-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.22
Rot. Bonds6

About 3-[4-(3-oxopropyl)piperazin-1-yl]propanal

3-[4-(3-oxopropyl)piperazin-1-yl]propanal (PubChem CID 137349424) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[4-(3-oxopropyl)piperazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-(3-oxopropyl)piperazin-1-yl]propanal
PubChem CID137349424
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[4-(3-oxopropyl)piperazin-1-yl]propanal
SMILESO=CCCN1CCN(CCC=O)CC1
InChIInChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2
InChIKeyYNICZMOQZCCMFE-UHFFFAOYSA-N
XLogP-0.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.22
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

PERPHENAZINE_met017
CID 63039035
PERPHENAZINE_met015
CID 171115042
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanal
CID 63039054
2,2-Dimethyl-3-(4-methylpiperazin-1-yl)propanal
CID 845392
3-[4-(2,2-Dimethyl-3-oxopropyl)piperazin-1-yl]-2,2-dimethylpropanal
CID 13580705
4-(2,2-Dimethyl-3-oxopropyl)piperazine-1-carbaldehyde
CID 15718281
3-[Methyl-[2-[methyl(3-oxopropyl)amino]ethyl]amino]propanal
CID 21469916
1,4-Diethylpiperazine-2-carbaldehyde
CID 45099558
4-(4-Methylpiperazin-1-yl)butanal
CID 53875336
4-(4-Butylpiperazin-1-yl)butanal
CID 53949335
2-Iodo-3-(4-methylpiperazin-1-yl)propanal
CID 54103348
3-(4-Methylpiperazin-1-yl)propanal
CID 54233492

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-oxopropyl)piperazin-1-yl]propanal?
The IUPAC name of 3-[4-(3-oxopropyl)piperazin-1-yl]propanal (CID 137349424) is 3-[4-(3-oxopropyl)piperazin-1-yl]propanal.
What is the SMILES notation for 3-[4-(3-oxopropyl)piperazin-1-yl]propanal?
The canonical SMILES for 3-[4-(3-oxopropyl)piperazin-1-yl]propanal is O=CCCN1CCN(CCC=O)CC1.
What is the InChIKey of 3-[4-(3-oxopropyl)piperazin-1-yl]propanal?
The InChIKey is YNICZMOQZCCMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2.
What are the key properties of 3-[4-(3-oxopropyl)piperazin-1-yl]propanal?
3-[4-(3-oxopropyl)piperazin-1-yl]propanal has a molecular weight of 198.27 g/mol, XLogP of -0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-oxopropyl)piperazin-1-yl]propanal is sourced from PubChem (CID 137349424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).