2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde

C20H24N2O — CID 22709781

IUPAC2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
SMILESO=CCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h1-10,14,20H,11-13,15-17H2
InChIKeyNRKFZXNUKTZXLE-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.96
Rot. Bonds6

About 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde

2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde (PubChem CID 22709781) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
PubChem CID22709781
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
SMILESO=CCC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h1-10,14,20H,11-13,15-17H2
InChIKeyNRKFZXNUKTZXLE-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
4-benzyl-1-ethylpiperazine-2-carbaldehyde
CID 174607288
1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
2-(1-benzyl-3-methylazetidin-2-yl)acetaldehyde
CID 123968798

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde?
The IUPAC name of 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde (CID 22709781) is 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde is O=CCC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde?
The InChIKey is NRKFZXNUKTZXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h1-10,14,20H,11-13,15-17H2.
What are the key properties of 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde?
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde has a molecular weight of 308.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde is sourced from PubChem (CID 22709781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).