1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine

C15H23ClN2O2 — CID 64935468

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine
SMILESCOc1cc(N2CC(C)(C)NCC2C)c(OC)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10-8-17-15(2,3)9-18(10)12-7-13(19-4)11(16)6-14(12)20-5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyIJOCANZFUQXTCB-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.93
Rot. Bonds3

About 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine

1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine (PubChem CID 64935468) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine
PubChem CID64935468
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine
SMILESCOc1cc(N2CC(C)(C)NCC2C)c(OC)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10-8-17-15(2,3)9-18(10)12-7-13(19-4)11(16)6-14(12)20-5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyIJOCANZFUQXTCB-UHFFFAOYSA-N
XLogP2.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine (CID 64935468) is 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine is COc1cc(N2CC(C)(C)NCC2C)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine?
The InChIKey is IJOCANZFUQXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10-8-17-15(2,3)9-18(10)12-7-13(19-4)11(16)6-14(12)20-5/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine?
1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine has a molecular weight of 298.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64935468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).