1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene

C30H48N2 — CID 167661867

IUPAC1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
SMILESCC1CCC(C)CC1.CCc1ccc(N2CCN(CC)CC2)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C14H22N2.C8H16.C8H10/c1-3-13-5-7-14(8-6-13)16-11-9-15(4-2)10-12-16;2*1-7-3-5-8(2)6-4-7/h5-8H,3-4,9-12H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3
InChIKeySBLDYPOQMGSZNC-UHFFFAOYSA-N
MW436.73 g/mol
LogP7.53
Rot. Bonds3

About 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene

1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene (PubChem CID 167661867) has the molecular formula C30H48N2 and a molecular weight of 436.73 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
PubChem CID167661867
Molecular FormulaC30H48N2
Molecular Weight436.73 g/mol
Exact Mass436.38
IUPAC Name1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
SMILESCC1CCC(C)CC1.CCc1ccc(N2CCN(CC)CC2)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C14H22N2.C8H16.C8H10/c1-3-13-5-7-14(8-6-13)16-11-9-15(4-2)10-12-16;2*1-7-3-5-8(2)6-4-7/h5-8H,3-4,9-12H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3
InChIKeySBLDYPOQMGSZNC-UHFFFAOYSA-N
XLogP7.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
CID 167649681
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
sodium 4-(4-ethylpiperazin-1-yl)benzenethiolate
CID 163265369
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene?
The IUPAC name of 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene (CID 167661867) is 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene.
What is the SMILES notation for 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene?
The canonical SMILES for 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene is CC1CCC(C)CC1.CCc1ccc(N2CCN(CC)CC2)cc1.Cc1ccc(C)cc1.
What is the InChIKey of 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene?
The InChIKey is SBLDYPOQMGSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C8H16.C8H10/c1-3-13-5-7-14(8-6-13)16-11-9-15(4-2)10-12-16;2*1-7-3-5-8(2)6-4-7/h5-8H,3-4,9-12H2,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene?
1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene has a molecular weight of 436.73 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene is sourced from PubChem (CID 167661867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).