(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid

C14H20N2O2 — CID 67131699

IUPAC(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
SMILESCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-2-13-11-15(8-9-16(13)14(17)18)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyXEYIYMSNJRCFTD-ZDUSSCGKSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds3

About (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid

(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid (PubChem CID 67131699) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
PubChem CID67131699
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
SMILESCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)O
InChIInChI=1S/C14H20N2O2/c1-2-13-11-15(8-9-16(13)14(17)18)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyXEYIYMSNJRCFTD-ZDUSSCGKSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid
CID 68987473
1-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782147
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782146
4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 71992455
(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 71994059
(2S)-4-benzyl-2-[[(4-ethoxy-4-oxobutanoyl)-propan-2-ylamino]methyl]piperazine-1-carboxylic acid
CID 68664475
1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 95782144
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid?
The IUPAC name of (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid (CID 67131699) is (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid is CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)O.
What is the InChIKey of (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid?
The InChIKey is XEYIYMSNJRCFTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13-11-15(8-9-16(13)14(17)18)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid?
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 67131699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).