1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane

C25H42N2O — CID 143500480

IUPAC1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
SMILESCC.COc1ccccc1C1CCC(N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H36N2O.C2H6/c1-26-23-10-6-5-9-22(23)19-11-13-21(14-12-19)25-17-15-24(16-18-25)20-7-3-2-4-8-20;1-2/h5-6,9-10,19-21H,2-4,7-8,11-18H2,1H3;1-2H3
InChIKeyNTOISANCLFTOFJ-UHFFFAOYSA-N
MW386.62 g/mol
LogP5.70
Rot. Bonds4

About 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane

1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane (PubChem CID 143500480) has the molecular formula C25H42N2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
PubChem CID143500480
Molecular FormulaC25H42N2O
Molecular Weight386.62 g/mol
Exact Mass386.33
IUPAC Name1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
SMILESCC.COc1ccccc1C1CCC(N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H36N2O.C2H6/c1-26-23-10-6-5-9-22(23)19-11-13-21(14-12-19)25-17-15-24(16-18-25)20-7-3-2-4-8-20;1-2/h5-6,9-10,19-21H,2-4,7-8,11-18H2,1H3;1-2H3
InChIKeyNTOISANCLFTOFJ-UHFFFAOYSA-N
XLogP5.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-methoxyphenyl)-1-(4-methyl-9-bicyclo[5.4.1]dodecanyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane?
The IUPAC name of 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane (CID 143500480) is 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane.
What is the SMILES notation for 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane?
The canonical SMILES for 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane is CC.COc1ccccc1C1CCC(N2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane?
The InChIKey is NTOISANCLFTOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O.C2H6/c1-26-23-10-6-5-9-22(23)19-11-13-21(14-12-19)25-17-15-24(16-18-25)20-7-3-2-4-8-20;1-2/h5-6,9-10,19-21H,2-4,7-8,11-18H2,1H3;1-2H3.
What are the key properties of 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane?
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane has a molecular weight of 386.62 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane is sourced from PubChem (CID 143500480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).