1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

C17H26Cl2N2 — CID 64840035

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-5-17(4)11-20-16(12(2)3)10-21(17)9-13-6-7-14(18)15(19)8-13/h6-8,12,16,20H,5,9-11H2,1-4H3
InChIKeyCXPPLIXRCHSFQL-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.59
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine

1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64840035) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
PubChem CID64840035
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
SMILESCCC1(C)CNC(C(C)C)CN1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H26Cl2N2/c1-5-17(4)11-20-16(12(2)3)10-21(17)9-13-6-7-14(18)15(19)8-13/h6-8,12,16,20H,5,9-11H2,1-4H3
InChIKeyCXPPLIXRCHSFQL-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine (CID 64840035) is 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is CCC1(C)CNC(C(C)C)CN1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is CXPPLIXRCHSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-5-17(4)11-20-16(12(2)3)10-21(17)9-13-6-7-14(18)15(19)8-13/h6-8,12,16,20H,5,9-11H2,1-4H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine?
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 329.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64840035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).