2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde

C11H21N3O — CID 82508373

IUPAC2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1CCN1CCNCC1
InChIInChI=1S/C11H21N3O/c15-10-14-6-1-2-11(14)3-7-13-8-4-12-5-9-13/h10-12H,1-9H2
InChIKeyKXAGTNFAISBXDJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds4

About 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde

2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde (PubChem CID 82508373) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
PubChem CID82508373
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1CCN1CCNCC1
InChIInChI=1S/C11H21N3O/c15-10-14-6-1-2-11(14)3-7-13-8-4-12-5-9-13/h10-12H,1-9H2
InChIKeyKXAGTNFAISBXDJ-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
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

2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
CID 142690055
1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone
CID 82023476
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-(3-oxopropyl)piperidine-1-carbaldehyde
CID 88835293
2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
CID 88926703
7-[2-(1,3-dioxol-2-yl)ethyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
CID 19434767
5-(2-piperazin-1-ylethyl)pyrrolidin-2-one
CID 83880155
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511505
1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82021369
1-(2-piperazin-1-ylethyl)azocane
CID 60851971

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde (CID 82508373) is 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde is O=CN1CCCC1CCN1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde?
The InChIKey is KXAGTNFAISBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-10-14-6-1-2-11(14)3-7-13-8-4-12-5-9-13/h10-12H,1-9H2.
What are the key properties of 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde?
2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde has a molecular weight of 211.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 82508373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).