(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid

C21H24N2O2 — CID 68987473

IUPAC(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccccc2)C[C@H]1C/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-21(25)23-15-14-22(16-19-10-5-2-6-11-19)17-20(23)13-7-12-18-8-3-1-4-9-18/h1-12,20H,13-17H2,(H,24,25)/b12-7+/t20-/m1/s1
InChIKeyAHVCCBQWPFZUND-ACGJQVIASA-N
MW336.44 g/mol
LogP3.95
Rot. Bonds5

About (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid

(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid (PubChem CID 68987473) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid
PubChem CID68987473
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccccc2)C[C@H]1C/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-21(25)23-15-14-22(16-19-10-5-2-6-11-19)17-20(23)13-7-12-18-8-3-1-4-9-18/h1-12,20H,13-17H2,(H,24,25)/b12-7+/t20-/m1/s1
InChIKeyAHVCCBQWPFZUND-ACGJQVIASA-N
XLogP3.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967
2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
CID 54418313
(2S)-4-benzyl-2-[[(4-ethoxy-4-oxobutanoyl)-propan-2-ylamino]methyl]piperazine-1-carboxylic acid
CID 68664475
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
CID 142251604
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid?
The IUPAC name of (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid (CID 68987473) is (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid?
The canonical SMILES for (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2ccccc2)C[C@H]1C/C=C/c1ccccc1.
What is the InChIKey of (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid?
The InChIKey is AHVCCBQWPFZUND-ACGJQVIASA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(25)23-15-14-22(16-19-10-5-2-6-11-19)17-20(23)13-7-12-18-8-3-1-4-9-18/h1-12,20H,13-17H2,(H,24,25)/b12-7+/t20-/m1/s1.
What are the key properties of (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid?
(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68987473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).