1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine

C14H20Cl2N2 — CID 64935066

IUPAC1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-4-12-8-17-14(2,3)9-18(12)13-6-10(15)5-11(16)7-13/h5-7,12,17H,4,8-9H2,1-3H3
InChIKeyDSCVTPNEEQGANW-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.96
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine

1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64935066) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
PubChem CID64935066
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-4-12-8-17-14(2,3)9-18(12)13-6-10(15)5-11(16)7-13/h5-7,12,17H,4,8-9H2,1-3H3
InChIKeyDSCVTPNEEQGANW-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine (CID 64935066) is 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is DSCVTPNEEQGANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-4-12-8-17-14(2,3)9-18(12)13-6-10(15)5-11(16)7-13/h5-7,12,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine?
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64935066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).