methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate

C21H26N2O2 — CID 22710010

IUPACmethyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
SMILESCOC(=O)CC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-25-21(24)14-20-17-22(15-18-8-4-2-5-9-18)12-13-23(20)16-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyJCQKPXHKGNJTQQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate

methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate (PubChem CID 22710010) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
PubChem CID22710010
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namemethyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
SMILESCOC(=O)CC1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-25-21(24)14-20-17-22(15-18-8-4-2-5-9-18)12-13-23(20)16-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyJCQKPXHKGNJTQQ-UHFFFAOYSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
CID 90060732
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
CID 69186002
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
CID 10476627
methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
CID 15265293

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate?
The IUPAC name of methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate (CID 22710010) is methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate?
The canonical SMILES for methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate is COC(=O)CC1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate?
The InChIKey is JCQKPXHKGNJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-21(24)14-20-17-22(15-18-8-4-2-5-9-18)12-13-23(20)16-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3.
What are the key properties of methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate?
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate has a molecular weight of 338.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate is sourced from PubChem (CID 22710010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).