2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine

C16H32N2O — CID 106458501

IUPAC2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CCNCC1C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)13-19-11-10-18-9-8-17-12-16(18)15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyVZJYPQXPVCVYSD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine

2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 106458501) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID106458501
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCC(C)COCCN1CCNCC1C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-14(2)13-19-11-10-18-9-8-17-12-16(18)15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3
InChIKeyVZJYPQXPVCVYSD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine (CID 106458501) is 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine is CC(C)COCCN1CCNCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is VZJYPQXPVCVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)13-19-11-10-18-9-8-17-12-16(18)15-6-4-3-5-7-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 106458501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).