1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine

C26H27ClN2 — CID 67798230

IUPAC1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine
SMILESC=CC(c1ccc(Cc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27ClN2/c1-2-26(29-18-16-28(17-19-29)25-6-4-3-5-7-25)23-12-8-21(9-13-23)20-22-10-14-24(27)15-11-22/h2-15,26H,1,16-20H2
InChIKeyOYCHUZTWWJODKR-UHFFFAOYSA-N
MW402.97 g/mol
LogP5.98
Rot. Bonds6

About 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine

1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine (PubChem CID 67798230) has the molecular formula C26H27ClN2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine
PubChem CID67798230
Molecular FormulaC26H27ClN2
Molecular Weight402.97 g/mol
Exact Mass402.19
IUPAC Name1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine
SMILESC=CC(c1ccc(Cc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27ClN2/c1-2-26(29-18-16-28(17-19-29)25-6-4-3-5-7-25)23-12-8-21(9-13-23)20-22-10-14-24(27)15-11-22/h2-15,26H,1,16-20H2
InChIKeyOYCHUZTWWJODKR-UHFFFAOYSA-N
XLogP5.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 55.98
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 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine (CID 67798230) is 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine is C=CC(c1ccc(Cc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine?
The InChIKey is OYCHUZTWWJODKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2/c1-2-26(29-18-16-28(17-19-29)25-6-4-3-5-7-25)23-12-8-21(9-13-23)20-22-10-14-24(27)15-11-22/h2-15,26H,1,16-20H2.
What are the key properties of 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine?
1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine has a molecular weight of 402.97 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4-chlorophenyl)methyl]phenyl]prop-2-enyl]-4-phenylpiperazine is sourced from PubChem (CID 67798230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).