1-(4-iodocyclohexyl)-4-methylpiperazine

C11H21IN2 — CID 134444835

IUPAC1-(4-iodocyclohexyl)-4-methylpiperazine
SMILESCN1CCN(C2CCC(I)CC2)CC1
InChIInChI=1S/C11H21IN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h10-11H,2-9H2,1H3
InChIKeyYRILLHPCNLPJKU-UHFFFAOYSA-N
MW308.21 g/mol
LogP1.98
Rot. Bonds1

About 1-(4-iodocyclohexyl)-4-methylpiperazine

1-(4-iodocyclohexyl)-4-methylpiperazine (PubChem CID 134444835) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-(4-iodocyclohexyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-iodocyclohexyl)-4-methylpiperazine
PubChem CID134444835
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1-(4-iodocyclohexyl)-4-methylpiperazine
SMILESCN1CCN(C2CCC(I)CC2)CC1
InChIInChI=1S/C11H21IN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h10-11H,2-9H2,1H3
InChIKeyYRILLHPCNLPJKU-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 51.98
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

ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
1-cyclopropyl-4-methylpiperazine;1,2,4-trimethylpiperazine
CID 142374718
(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol
CID 174300684
1-methyl-4-(4-prop-1-ynylcyclohexyl)piperazine
CID 155218445
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
1-(1-iodoazetidin-3-yl)-4-methylpiperazine
CID 152901586
3-(4-iodocyclohexyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 175611219
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 177135013
trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 66635602

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodocyclohexyl)-4-methylpiperazine?
The IUPAC name of 1-(4-iodocyclohexyl)-4-methylpiperazine (CID 134444835) is 1-(4-iodocyclohexyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-iodocyclohexyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-iodocyclohexyl)-4-methylpiperazine is CN1CCN(C2CCC(I)CC2)CC1.
What is the InChIKey of 1-(4-iodocyclohexyl)-4-methylpiperazine?
The InChIKey is YRILLHPCNLPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-(4-iodocyclohexyl)-4-methylpiperazine?
1-(4-iodocyclohexyl)-4-methylpiperazine has a molecular weight of 308.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodocyclohexyl)-4-methylpiperazine is sourced from PubChem (CID 134444835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).