ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)

C56H120N8 — CID 158931330

IUPACethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)
SMILESCC.CC.CC.CC.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/4C12H24N2.4C2H6/c4*1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;4*1-2/h4*11-12H,3-10H2,1-2H3;4*1-2H3
InChIKeyJJCFKZKYPJFXDN-UHFFFAOYSA-N
MW905.63 g/mol
LogP11.35
Rot. Bonds4

About ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)

ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine) (PubChem CID 158931330) has the molecular formula C56H120N8 and a molecular weight of 905.63 g/mol. Its IUPAC name is ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine).

Molecular Properties

Compound Nameethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)
PubChem CID158931330
Molecular FormulaC56H120N8
Molecular Weight905.63 g/mol
Exact Mass904.96
IUPAC Nameethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)
SMILESCC.CC.CC.CC.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/4C12H24N2.4C2H6/c4*1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;4*1-2/h4*11-12H,3-10H2,1-2H3;4*1-2H3
InChIKeyJJCFKZKYPJFXDN-UHFFFAOYSA-N
XLogP11.35
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.63
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)?
The IUPAC name of ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine) (CID 158931330) is ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine).
What is the SMILES notation for ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)?
The canonical SMILES for ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine) is CC.CC.CC.CC.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.CC1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)?
The InChIKey is JJCFKZKYPJFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H24N2.4C2H6/c4*1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;4*1-2/h4*11-12H,3-10H2,1-2H3;4*1-2H3.
What are the key properties of ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine)?
ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine) has a molecular weight of 905.63 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetrakis(1-methyl-4-(4-methylcyclohexyl)piperazine) is sourced from PubChem (CID 158931330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).