1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine

C22H36N2O3 — CID 91333279

IUPAC1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine
SMILESCOc1cc(OCCCN2CCN(C)CC2)cc(C2CCCCC2)c1OC
InChIInChI=1S/C22H36N2O3/c1-23-11-13-24(14-12-23)10-7-15-27-19-16-20(18-8-5-4-6-9-18)22(26-3)21(17-19)25-2/h16-18H,4-15H2,1-3H3
InChIKeyBWAARUZHAXBKOA-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.77
Rot. Bonds8

About 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine

1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine (PubChem CID 91333279) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine
PubChem CID91333279
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine
SMILESCOc1cc(OCCCN2CCN(C)CC2)cc(C2CCCCC2)c1OC
InChIInChI=1S/C22H36N2O3/c1-23-11-13-24(14-12-23)10-7-15-27-19-16-20(18-8-5-4-6-9-18)22(26-3)21(17-19)25-2/h16-18H,4-15H2,1-3H3
InChIKeyBWAARUZHAXBKOA-UHFFFAOYSA-N
XLogP3.77
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine (CID 91333279) is 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine is COc1cc(OCCCN2CCN(C)CC2)cc(C2CCCCC2)c1OC.
What is the InChIKey of 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine?
The InChIKey is BWAARUZHAXBKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-23-11-13-24(14-12-23)10-7-15-27-19-16-20(18-8-5-4-6-9-18)22(26-3)21(17-19)25-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine?
1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine has a molecular weight of 376.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclohexyl-4,5-dimethoxyphenoxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 91333279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).