(2R)-1,4-dibenzylpiperazine-2-carbaldehyde

C19H22N2O — CID 124566770

IUPAC(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
SMILESO=C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2/t19-/m1/s1
InChIKeyGPGHMUYOZRAMNQ-LJQANCHMSA-N
MW294.40 g/mol
LogP2.57
Rot. Bonds5

About (2R)-1,4-dibenzylpiperazine-2-carbaldehyde

(2R)-1,4-dibenzylpiperazine-2-carbaldehyde (PubChem CID 124566770) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-1,4-dibenzylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
PubChem CID124566770
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
SMILESO=C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2/t19-/m1/s1
InChIKeyGPGHMUYOZRAMNQ-LJQANCHMSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.57
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

4-benzyl-1-ethylpiperazine-2-carbaldehyde
CID 174607288
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
1-benzylazepane-3-carbaldehyde
CID 83910081
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-dibenzylpiperazine-2-carbaldehyde?
The IUPAC name of (2R)-1,4-dibenzylpiperazine-2-carbaldehyde (CID 124566770) is (2R)-1,4-dibenzylpiperazine-2-carbaldehyde.
What is the SMILES notation for (2R)-1,4-dibenzylpiperazine-2-carbaldehyde?
The canonical SMILES for (2R)-1,4-dibenzylpiperazine-2-carbaldehyde is O=C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1,4-dibenzylpiperazine-2-carbaldehyde?
The InChIKey is GPGHMUYOZRAMNQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O/c22-16-19-15-20(13-17-7-3-1-4-8-17)11-12-21(19)14-18-9-5-2-6-10-18/h1-10,16,19H,11-15H2/t19-/m1/s1.
What are the key properties of (2R)-1,4-dibenzylpiperazine-2-carbaldehyde?
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde has a molecular weight of 294.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-dibenzylpiperazine-2-carbaldehyde is sourced from PubChem (CID 124566770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).