(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine

C19H21ClN2 — CID 68576883

IUPAC(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2/c1-2-12-21-13-14-22(18-6-4-3-5-7-18)15-19(21)16-8-10-17(20)11-9-16/h2-11,19H,1,12-15H2/t19-/m0/s1
InChIKeyMAXATAPWWBVLEO-IBGZPJMESA-N
MW312.84 g/mol
LogP4.39
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine

(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine (PubChem CID 68576883) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine
PubChem CID68576883
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2/c1-2-12-21-13-14-22(18-6-4-3-5-7-18)15-19(21)16-8-10-17(20)11-9-16/h2-11,19H,1,12-15H2/t19-/m0/s1
InChIKeyMAXATAPWWBVLEO-IBGZPJMESA-N
XLogP4.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine (CID 68576883) is (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine is C=CCN1CCN(c2ccccc2)C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine?
The InChIKey is MAXATAPWWBVLEO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21ClN2/c1-2-12-21-13-14-22(18-6-4-3-5-7-18)15-19(21)16-8-10-17(20)11-9-16/h2-11,19H,1,12-15H2/t19-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine?
(2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine has a molecular weight of 312.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-phenyl-1-prop-2-enylpiperazine is sourced from PubChem (CID 68576883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).