1-[3-(3-iodophenyl)propyl]-4-methylpiperazine

C14H21IN2 — CID 170862396

IUPAC1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cccc(I)c2)CC1
InChIInChI=1S/C14H21IN2/c1-16-8-10-17(11-9-16)7-3-5-13-4-2-6-14(15)12-13/h2,4,6,12H,3,5,7-11H2,1H3
InChIKeyYEIHCXCVMZQNMJ-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.47
Rot. Bonds4

About 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine

1-[3-(3-iodophenyl)propyl]-4-methylpiperazine (PubChem CID 170862396) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
PubChem CID170862396
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2cccc(I)c2)CC1
InChIInChI=1S/C14H21IN2/c1-16-8-10-17(11-9-16)7-3-5-13-4-2-6-14(15)12-13/h2,4,6,12H,3,5,7-11H2,1H3
InChIKeyYEIHCXCVMZQNMJ-UHFFFAOYSA-N
XLogP2.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.47
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

1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-[3-(3-fluoro-5-iodophenyl)propyl]-4-methylpiperazine
CID 170863311
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
methyl 3-[3-(4-methylpiperazin-1-yl)propyl]benzoate
CID 170862443
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine
CID 170863331
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
CID 170863719
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine (CID 170862396) is 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine is CN1CCN(CCCc2cccc(I)c2)CC1.
What is the InChIKey of 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine?
The InChIKey is YEIHCXCVMZQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-16-8-10-17(11-9-16)7-3-5-13-4-2-6-14(15)12-13/h2,4,6,12H,3,5,7-11H2,1H3.
What are the key properties of 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine?
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine has a molecular weight of 344.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-iodophenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).