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

C15H21IN2 — CID 65488983

IUPAC2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2ccc(I)cc2)C(C2CC2)CN1
InChIInChI=1S/C15H21IN2/c1-11-9-18(15(8-17-11)13-4-5-13)10-12-2-6-14(16)7-3-12/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3
InChIKeyIMYPRQUINVUXRB-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.86
Rot. Bonds3

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

2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine (PubChem CID 65488983) has the molecular formula C15H21IN2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
PubChem CID65488983
Molecular FormulaC15H21IN2
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
SMILESCC1CN(Cc2ccc(I)cc2)C(C2CC2)CN1
InChIInChI=1S/C15H21IN2/c1-11-9-18(15(8-17-11)13-4-5-13)10-12-2-6-14(16)7-3-12/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3
InChIKeyIMYPRQUINVUXRB-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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]-5-methylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine (CID 65488983) is 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine is CC1CN(Cc2ccc(I)cc2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
The InChIKey is IMYPRQUINVUXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2/c1-11-9-18(15(8-17-11)13-4-5-13)10-12-2-6-14(16)7-3-12/h2-3,6-7,11,13,15,17H,4-5,8-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine has a molecular weight of 356.25 g/mol, XLogP of 2.86, 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]-5-methylpiperazine is sourced from PubChem (CID 65488983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).