1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine

C13H19IN2 — CID 134846491

IUPAC1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2ccc(I)cc2)CC1
InChIInChI=1S/C13H19IN2/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12/h2-5H,6-11H2,1H3
InChIKeyYPBKOMLFVXQFKR-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.08
Rot. Bonds3

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

1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine (PubChem CID 134846491) has the molecular formula C13H19IN2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
PubChem CID134846491
Molecular FormulaC13H19IN2
Molecular Weight330.21 g/mol
Exact Mass330.06
IUPAC Name1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2ccc(I)cc2)CC1
InChIInChI=1S/C13H19IN2/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12/h2-5H,6-11H2,1H3
InChIKeyYPBKOMLFVXQFKR-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine
CID 59777044
1-methyl-4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]piperazine
CID 117485780
1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine
CID 175088304
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
1-[2-(4-prop-1-en-2-ylphenyl)ethyl]aziridine
CID 87132038

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine (CID 134846491) is 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine is CN1CCN(CCc2ccc(I)cc2)CC1.
What is the InChIKey of 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine?
The InChIKey is YPBKOMLFVXQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine?
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine has a molecular weight of 330.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 134846491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).