1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine

C18H26Cl2N2 — CID 53317144

IUPAC1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine
SMILESCN1CCN(CC2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C18H26Cl2N2/c1-21-9-11-22(12-10-21)14-18(7-3-2-4-8-18)15-5-6-16(19)17(20)13-15/h5-6,13H,2-4,7-12,14H2,1H3
InChIKeyFSYUMFOIUHBSHI-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.44
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine

1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine (PubChem CID 53317144) has the molecular formula C18H26Cl2N2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine
PubChem CID53317144
Molecular FormulaC18H26Cl2N2
Molecular Weight341.33 g/mol
Exact Mass340.15
IUPAC Name1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine
SMILESCN1CCN(CC2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1
InChIInChI=1S/C18H26Cl2N2/c1-21-9-11-22(12-10-21)14-18(7-3-2-4-8-18)15-5-6-16(19)17(20)13-15/h5-6,13H,2-4,7-12,14H2,1H3
InChIKeyFSYUMFOIUHBSHI-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine (CID 53317144) is 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine is CN1CCN(CC2(c3ccc(Cl)c(Cl)c3)CCCCC2)CC1.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine?
The InChIKey is FSYUMFOIUHBSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2/c1-21-9-11-22(12-10-21)14-18(7-3-2-4-8-18)15-5-6-16(19)17(20)13-15/h5-6,13H,2-4,7-12,14H2,1H3.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine?
1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine has a molecular weight of 341.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 53317144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).