1-tert-butyl-4-(4-iodophenyl)piperazine

C14H21IN2 — CID 154329607

IUPAC1-tert-butyl-4-(4-iodophenyl)piperazine
SMILESCC(C)(C)N1CCN(c2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2/c1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyMJAYDDFHXHMLIB-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.21
Rot. Bonds1

About 1-tert-butyl-4-(4-iodophenyl)piperazine

1-tert-butyl-4-(4-iodophenyl)piperazine (PubChem CID 154329607) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-iodophenyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-iodophenyl)piperazine
PubChem CID154329607
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-tert-butyl-4-(4-iodophenyl)piperazine
SMILESCC(C)(C)N1CCN(c2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2/c1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3
InChIKeyMJAYDDFHXHMLIB-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-iodophenyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(4-iodophenyl)piperazine (CID 154329607) is 1-tert-butyl-4-(4-iodophenyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(4-iodophenyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(4-iodophenyl)piperazine is CC(C)(C)N1CCN(c2ccc(I)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-iodophenyl)piperazine?
The InChIKey is MJAYDDFHXHMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-14(2,3)17-10-8-16(9-11-17)13-6-4-12(15)5-7-13/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(4-iodophenyl)piperazine?
1-tert-butyl-4-(4-iodophenyl)piperazine has a molecular weight of 344.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-iodophenyl)piperazine is sourced from PubChem (CID 154329607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).