1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine

C26H55FN4 — CID 161146552

IUPAC1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine
SMILESCC1CCCCC1.CN1CCC(C)(F)CC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14FN.C7H14.C6H14N2.C6H13N/c1-7(8)3-5-9(2)6-4-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h3-6H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2-6H2,1H3
InChIKeyUOCYIVMDTJJNTO-UHFFFAOYSA-N
MW442.75 g/mol
LogP4.99
Rot. Bonds

About 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine

1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine (PubChem CID 161146552) has the molecular formula C26H55FN4 and a molecular weight of 442.75 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine
PubChem CID161146552
Molecular FormulaC26H55FN4
Molecular Weight442.75 g/mol
Exact Mass442.44
IUPAC Name1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine
SMILESCC1CCCCC1.CN1CCC(C)(F)CC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14FN.C7H14.C6H14N2.C6H13N/c1-7(8)3-5-9(2)6-4-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h3-6H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2-6H2,1H3
InChIKeyUOCYIVMDTJJNTO-UHFFFAOYSA-N
XLogP4.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.75
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine with MolForge

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Related Compounds

4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
CID 158438877
4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methylcyclohexane;bis(1-methylpiperidine)
CID 160510839
1-[2-[1-[2-(4,4-Difluoropiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]-4-methylpiperazine
CID 170253919
1-[(1-Ethyl-4-fluoropiperidin-4-yl)methyl]-4-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]piperazine
CID 174276989
3-Fluoro-1-methyl-4-(1-methylpiperidin-4-yl)-1-[(1-methylpiperidin-4-yl)methyl]piperidin-1-ium
CID 174344634
1-(2-Cyclohexylethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
CID 59866943
1,4-Dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine
CID 90873610
1-[2-(4-Methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine
CID 135179535
1-[2-(4-Methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine
CID 138656915
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpiperidine
CID 142867128
1,4-Dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 143758310
1-[2-(1-Methylpiperidin-4-yl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 144419691

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine (CID 161146552) is 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine is CC1CCCCC1.CN1CCC(C)(F)CC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine?
The InChIKey is UOCYIVMDTJJNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.C7H14.C6H14N2.C6H13N/c1-7(8)3-5-9(2)6-4-7;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h3-6H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2-6H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine?
1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine has a molecular weight of 442.75 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;4-fluoro-1,4-dimethylpiperidine;methylcyclohexane;1-methylpiperidine is sourced from PubChem (CID 161146552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).