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

C15H21IN2 — CID 65491560

IUPAC2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
SMILESCC1(C2CC2)CNCCN1Cc1ccc(I)cc1
InChIInChI=1S/C15H21IN2/c1-15(13-4-5-13)11-17-8-9-18(15)10-12-2-6-14(16)7-3-12/h2-3,6-7,13,17H,4-5,8-11H2,1H3
InChIKeyMLSZLBMEYJLPHQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.87
Rot. Bonds3

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

2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine (PubChem CID 65491560) has the molecular formula C15H21IN2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
PubChem CID65491560
Molecular FormulaC15H21IN2
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
SMILESCC1(C2CC2)CNCCN1Cc1ccc(I)cc1
InChIInChI=1S/C15H21IN2/c1-15(13-4-5-13)11-17-8-9-18(15)10-12-2-6-14(16)7-3-12/h2-3,6-7,13,17H,4-5,8-11H2,1H3
InChIKeyMLSZLBMEYJLPHQ-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.87
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 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine (CID 65491560) is 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine is CC1(C2CC2)CNCCN1Cc1ccc(I)cc1.
What is the InChIKey of 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
The InChIKey is MLSZLBMEYJLPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2/c1-15(13-4-5-13)11-17-8-9-18(15)10-12-2-6-14(16)7-3-12/h2-3,6-7,13,17H,4-5,8-11H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine?
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine has a molecular weight of 356.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 65491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).