1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

C35H70N4 — CID 159273054

IUPAC1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1=CCC(C)=C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C8H16.2C7H15N.C7H10.C6H14N2/c3*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3,5H,4H2,1-2H3;3-6H2,1-2H3
InChIKeyKXYLIQRODJDCFK-UHFFFAOYSA-N
MW546.97 g/mol
LogP7.68
Rot. Bonds

About 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (PubChem CID 159273054) has the molecular formula C35H70N4 and a molecular weight of 546.97 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
PubChem CID159273054
Molecular FormulaC35H70N4
Molecular Weight546.97 g/mol
Exact Mass546.56
IUPAC Name1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1=CCC(C)=C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C8H16.2C7H15N.C7H10.C6H14N2/c3*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3,5H,4H2,1-2H3;3-6H2,1-2H3
InChIKeyKXYLIQRODJDCFK-UHFFFAOYSA-N
XLogP7.68
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.97
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) with MolForge

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Related Compounds

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
CID 158143139
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
CID 159328824
Ethylbenzene;ethylcyclohexane;1-ethylpiperazin-4-ide;tris(1-ethylpiperidine);4-ethylpiperidin-1-ide;tris(vanadium);yttrium
CID 159666708
1,4-dimethylcyclohexane;(1Z)-2,4-dimethylpenta-1,3-dien-1-amine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 159901906

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The IUPAC name of 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (CID 159273054) is 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).
What is the SMILES notation for 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The canonical SMILES for 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is CC1=CCC(C)=C1.CC1CCC(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The InChIKey is KXYLIQRODJDCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C7H15N.C7H10.C6H14N2/c3*1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;3,5H,4H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) has a molecular weight of 546.97 g/mol, XLogP of 7.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,3-dimethylcyclopenta-1,3-diene;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is sourced from PubChem (CID 159273054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).