1-(3-iodopropyl)-2,4-dimethylpiperazine

C9H19IN2 — CID 126995640

IUPAC1-(3-iodopropyl)-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1CCCI
InChIInChI=1S/C9H19IN2/c1-9-8-11(2)6-7-12(9)5-3-4-10/h9H,3-8H2,1-2H3
InChIKeyHMXXGQGSARHLDH-UHFFFAOYSA-N
MW282.17 g/mol
LogP1.45
Rot. Bonds3

About 1-(3-iodopropyl)-2,4-dimethylpiperazine

1-(3-iodopropyl)-2,4-dimethylpiperazine (PubChem CID 126995640) has the molecular formula C9H19IN2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-(3-iodopropyl)-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-iodopropyl)-2,4-dimethylpiperazine
PubChem CID126995640
Molecular FormulaC9H19IN2
Molecular Weight282.17 g/mol
Exact Mass282.06
IUPAC Name1-(3-iodopropyl)-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1CCCI
InChIInChI=1S/C9H19IN2/c1-9-8-11(2)6-7-12(9)5-3-4-10/h9H,3-8H2,1-2H3
InChIKeyHMXXGQGSARHLDH-UHFFFAOYSA-N
XLogP1.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
CID 114086760
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine
CID 114087794
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 114087888
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
CID 142979155
1-[(E)-3-chloroprop-2-enyl]-2,4-dimethylpiperazine
CID 131236986
(2R)-1-iodo-2,4-dimethylpiperazine
CID 130224355
(2S)-1-iodo-2,4-dimethylpiperazine
CID 139406604
1-(3-iodopropyl)-7-methyl-1,4-diazepan-5-one
CID 131110414
(Z)-2-[2-(2,4-dimethylpiperazin-1-yl)ethylideneamino]ethenamine
CID 121451203

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodopropyl)-2,4-dimethylpiperazine?
The IUPAC name of 1-(3-iodopropyl)-2,4-dimethylpiperazine (CID 126995640) is 1-(3-iodopropyl)-2,4-dimethylpiperazine.
What is the SMILES notation for 1-(3-iodopropyl)-2,4-dimethylpiperazine?
The canonical SMILES for 1-(3-iodopropyl)-2,4-dimethylpiperazine is CC1CN(C)CCN1CCCI.
What is the InChIKey of 1-(3-iodopropyl)-2,4-dimethylpiperazine?
The InChIKey is HMXXGQGSARHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2/c1-9-8-11(2)6-7-12(9)5-3-4-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-iodopropyl)-2,4-dimethylpiperazine?
1-(3-iodopropyl)-2,4-dimethylpiperazine has a molecular weight of 282.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodopropyl)-2,4-dimethylpiperazine is sourced from PubChem (CID 126995640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).