1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane

C36H84N4 — CID 162105750

IUPAC1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
SMILESCC.CC.CC.CC.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C8H16.2C7H15N.C6H14N2.4C2H6/c4*1-7-3-5-8(2)6-4-7;4*1-2/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;4*1-2H3
InChIKeyZFMHUBFOGOHQHT-UHFFFAOYSA-N
MW573.10 g/mol
LogP9.50
Rot. Bonds

About 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane

1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane (PubChem CID 162105750) has the molecular formula C36H84N4 and a molecular weight of 573.10 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
PubChem CID162105750
Molecular FormulaC36H84N4
Molecular Weight573.10 g/mol
Exact Mass572.67
IUPAC Name1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
SMILESCC.CC.CC.CC.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C8H16.2C7H15N.C6H14N2.4C2H6/c4*1-7-3-5-8(2)6-4-7;4*1-2/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;4*1-2H3
InChIKeyZFMHUBFOGOHQHT-UHFFFAOYSA-N
XLogP9.50
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.10
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-methylpiperidine;1,4-dimethylpiperazine;methane;methylcyclohexane;bis(1-methylpiperidine)
CID 158438877
5,12,19,26-Tetrazaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetracontane
CID 58298267
1-(2-Cyclohexylethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
CID 59866943
1-(5-Undecylheptadecyl)-4-aza-1-azoniabicyclo[2.2.2]octane
CID 67938398
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-azacyclotetradecane
CID 70010037
2-ethyl-N,N-bis[2-[4-(2-ethylhexyl)piperazin-1-yl]ethyl]hexan-1-amine
CID 89654934
2-ethyl-N-(2-ethylhexyl)-N-[2-[4-[2-[4-(2-ethylhexyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethyl]hexan-1-amine
CID 89655085
1,4-Dimethylpiperazine;1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine
CID 90873610
1-Ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 132141230
1-Methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 132141232
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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane?
The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane (CID 162105750) is 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane.
What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane?
The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane is CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane?
The InChIKey is ZFMHUBFOGOHQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C7H15N.C6H14N2.4C2H6/c4*1-7-3-5-8(2)6-4-7;4*1-2/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3-6H2,1-2H3;4*1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane?
1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane has a molecular weight of 573.10 g/mol, XLogP of 9.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane is sourced from PubChem (CID 162105750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).