5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine

C17H25IN2 — CID 65491173

IUPAC5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1ccc(I)cc1
InChIInChI=1S/C17H25IN2/c1-3-17(2)12-19-16(14-6-7-14)11-20(17)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyHBCXADHKRBNMMM-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.64
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine

5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine (PubChem CID 65491173) has the molecular formula C17H25IN2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
PubChem CID65491173
Molecular FormulaC17H25IN2
Molecular Weight384.31 g/mol
Exact Mass384.11
IUPAC Name5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1ccc(I)cc1
InChIInChI=1S/C17H25IN2/c1-3-17(2)12-19-16(14-6-7-14)11-20(17)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyHBCXADHKRBNMMM-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
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 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine (CID 65491173) is 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine is CCC1(C)CNC(C2CC2)CN1Cc1ccc(I)cc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
The InChIKey is HBCXADHKRBNMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IN2/c1-3-17(2)12-19-16(14-6-7-14)11-20(17)10-13-4-8-15(18)9-5-13/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine has a molecular weight of 384.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 65491173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).