1-[4-[(4-iodophenyl)methyl]phenyl]piperazine

C17H19IN2 — CID 4738775

IUPAC1-[4-[(4-iodophenyl)methyl]phenyl]piperazine
SMILESIc1ccc(Cc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H19IN2/c18-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)20-11-9-19-10-12-20/h1-8,19H,9-13H2
InChIKeySLSSTWTYWYACRX-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.29
Rot. Bonds3

About 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine

1-[4-[(4-iodophenyl)methyl]phenyl]piperazine (PubChem CID 4738775) has the molecular formula C17H19IN2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[(4-iodophenyl)methyl]phenyl]piperazine
PubChem CID4738775
Molecular FormulaC17H19IN2
Molecular Weight378.26 g/mol
Exact Mass378.06
IUPAC Name1-[4-[(4-iodophenyl)methyl]phenyl]piperazine
SMILESIc1ccc(Cc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H19IN2/c18-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)20-11-9-19-10-12-20/h1-8,19H,9-13H2
InChIKeySLSSTWTYWYACRX-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine?
The IUPAC name of 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine (CID 4738775) is 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine.
What is the SMILES notation for 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine?
The canonical SMILES for 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine is Ic1ccc(Cc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine?
The InChIKey is SLSSTWTYWYACRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2/c18-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)20-11-9-19-10-12-20/h1-8,19H,9-13H2.
What are the key properties of 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine?
1-[4-[(4-iodophenyl)methyl]phenyl]piperazine has a molecular weight of 378.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-iodophenyl)methyl]phenyl]piperazine is sourced from PubChem (CID 4738775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).