(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine

C19H21FN2 — CID 68986241

IUPAC(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine
SMILESFc1ccccc1C=C[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C19H21FN2/c20-19-9-5-4-8-17(19)10-11-18-15-22(13-12-21-18)14-16-6-2-1-3-7-16/h1-11,18,21H,12-15H2/t18-/m1/s1
InChIKeyPASNGUHKOSLBBH-GOSISDBHSA-N
MW296.39 g/mol
LogP3.31
Rot. Bonds4

About (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine

(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine (PubChem CID 68986241) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine
PubChem CID68986241
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine
SMILESFc1ccccc1C=C[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C19H21FN2/c20-19-9-5-4-8-17(19)10-11-18-15-22(13-12-21-18)14-16-6-2-1-3-7-16/h1-11,18,21H,12-15H2/t18-/m1/s1
InChIKeyPASNGUHKOSLBBH-GOSISDBHSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
CID 92978714
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CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride
CID 22248189
1-benzyl-3-[(2-fluorophenyl)methylidene]pyrrolidine
CID 54010458
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
CID 69486967

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine?
The IUPAC name of (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine (CID 68986241) is (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine.
What is the SMILES notation for (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine?
The canonical SMILES for (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine is Fc1ccccc1C=C[C@@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine?
The InChIKey is PASNGUHKOSLBBH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2/c20-19-9-5-4-8-17(19)10-11-18-15-22(13-12-21-18)14-16-6-2-1-3-7-16/h1-11,18,21H,12-15H2/t18-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine?
(3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine has a molecular weight of 296.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[2-(2-fluorophenyl)ethenyl]piperazine is sourced from PubChem (CID 68986241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).