1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

C18H27BrN2 — CID 64875981

IUPAC1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1Cc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2/c1-4-17(2)12-20-18(3,15-7-8-15)13-21(17)11-14-5-9-16(19)10-6-14/h5-6,9-10,15,20H,4,7-8,11-13H2,1-3H3
InChIKeyWMKCSKYYCCWLGA-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.19
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (PubChem CID 64875981) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
PubChem CID64875981
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1Cc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2/c1-4-17(2)12-20-18(3,15-7-8-15)13-21(17)11-14-5-9-16(19)10-6-14/h5-6,9-10,15,20H,4,7-8,11-13H2,1-3H3
InChIKeyWMKCSKYYCCWLGA-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (CID 64875981) is 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is CCC1(C)CNC(C)(C2CC2)CN1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is WMKCSKYYCCWLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-4-17(2)12-20-18(3,15-7-8-15)13-21(17)11-14-5-9-16(19)10-6-14/h5-6,9-10,15,20H,4,7-8,11-13H2,1-3H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 351.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64875981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).