1-iodo-4-(3-methylbutyl)piperazine

C9H19IN2 — CID 166948884

IUPAC1-iodo-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(I)CC1
InChIInChI=1S/C9H19IN2/c1-9(2)3-4-11-5-7-12(10)8-6-11/h9H,3-8H2,1-2H3
InChIKeyNOTWGYXSPLSFGB-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.00
Rot. Bonds3

About 1-iodo-4-(3-methylbutyl)piperazine

1-iodo-4-(3-methylbutyl)piperazine (PubChem CID 166948884) has the molecular formula C9H19IN2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-iodo-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-iodo-4-(3-methylbutyl)piperazine
PubChem CID166948884
Molecular FormulaC9H19IN2
Molecular Weight282.17 g/mol
Exact Mass282.06
IUPAC Name1-iodo-4-(3-methylbutyl)piperazine
SMILESCC(C)CCN1CCN(I)CC1
InChIInChI=1S/C9H19IN2/c1-9(2)3-4-11-5-7-12(10)8-6-11/h9H,3-8H2,1-2H3
InChIKeyNOTWGYXSPLSFGB-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
(2S)-1-[4-(3-methylbutyl)piperazin-1-yl]propane-2-thiol
CID 58721634
3-[4-(3-methylbutyl)piperazin-1-yl]propanal
CID 164535551
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
ethane;4-(3-methylbutyl)thiomorpholine
CID 163260458
1-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol
CID 58721625
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(3-methylbutyl)piperazine?
The IUPAC name of 1-iodo-4-(3-methylbutyl)piperazine (CID 166948884) is 1-iodo-4-(3-methylbutyl)piperazine.
What is the SMILES notation for 1-iodo-4-(3-methylbutyl)piperazine?
The canonical SMILES for 1-iodo-4-(3-methylbutyl)piperazine is CC(C)CCN1CCN(I)CC1.
What is the InChIKey of 1-iodo-4-(3-methylbutyl)piperazine?
The InChIKey is NOTWGYXSPLSFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2/c1-9(2)3-4-11-5-7-12(10)8-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-iodo-4-(3-methylbutyl)piperazine?
1-iodo-4-(3-methylbutyl)piperazine has a molecular weight of 282.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 166948884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).