(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine

C22H28N2O — CID 69210439

IUPAC(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
SMILESCOC=CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C22H28N2O/c1-25-16-8-13-22-19-23(17-20-9-4-2-5-10-20)14-15-24(22)18-21-11-6-3-7-12-21/h2-12,16,22H,13-15,17-19H2,1H3/t22-/m0/s1
InChIKeyZQVGHMHTEYVJEA-QFIPXVFZSA-N
MW336.48 g/mol
LogP3.92
Rot. Bonds7

About (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine

(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine (PubChem CID 69210439) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine.

Molecular Properties

Compound Name(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
PubChem CID69210439
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
SMILESCOC=CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C22H28N2O/c1-25-16-8-13-22-19-23(17-20-9-4-2-5-10-20)14-15-24(22)18-21-11-6-3-7-12-21/h2-12,16,22H,13-15,17-19H2,1H3/t22-/m0/s1
InChIKeyZQVGHMHTEYVJEA-QFIPXVFZSA-N
XLogP3.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
CID 69186002
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
4-benzyl-1-ethylpiperazine-2-carbaldehyde
CID 174607288
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 126460832

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine?
The IUPAC name of (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine (CID 69210439) is (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine.
What is the SMILES notation for (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine?
The canonical SMILES for (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine is COC=CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine?
The InChIKey is ZQVGHMHTEYVJEA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N2O/c1-25-16-8-13-22-19-23(17-20-9-4-2-5-10-20)14-15-24(22)18-21-11-6-3-7-12-21/h2-12,16,22H,13-15,17-19H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine?
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine has a molecular weight of 336.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine is sourced from PubChem (CID 69210439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).