ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate

C23H30N2O3 — CID 58007099

IUPACethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-2-28-23(26)17-25-14-13-24(15-20-9-5-3-6-10-20)16-22(25)19-27-18-21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3/t22-/m1/s1
InChIKeyXKZIRDCVAGPMJY-JOCHJYFZSA-N
MW382.50 g/mol
LogP2.95
Rot. Bonds9

About ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate

ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate (PubChem CID 58007099) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate
PubChem CID58007099
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nameethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C23H30N2O3/c1-2-28-23(26)17-25-14-13-24(15-20-9-5-3-6-10-20)16-22(25)19-27-18-21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3/t22-/m1/s1
InChIKeyXKZIRDCVAGPMJY-JOCHJYFZSA-N
XLogP2.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
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CID 100966203
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
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1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
CID 10476627
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649
(2S)-4-benzyl-2-[[(4-ethoxy-4-oxobutanoyl)-propan-2-ylamino]methyl]piperazine-1-carboxylic acid
CID 68664475
ethyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;ethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate;dihydrate
CID 159626806
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate (CID 58007099) is ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1.
What is the InChIKey of ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate?
The InChIKey is XKZIRDCVAGPMJY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-28-23(26)17-25-14-13-24(15-20-9-5-3-6-10-20)16-22(25)19-27-18-21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3/t22-/m1/s1.
What are the key properties of ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate?
ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate has a molecular weight of 382.50 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 58007099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).