1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine

C16H25BrN2 — CID 64837940

IUPAC1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1Cc1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-4-7-14-10-18-16(2,3)12-19(14)11-13-8-5-6-9-15(13)17/h5-6,8-9,14,18H,4,7,10-12H2,1-3H3
InChIKeyKGMMXBAGGRJJJQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.80
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine

1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine (PubChem CID 64837940) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
PubChem CID64837940
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1Cc1ccccc1Br
InChIInChI=1S/C16H25BrN2/c1-4-7-14-10-18-16(2,3)12-19(14)11-13-8-5-6-9-15(13)17/h5-6,8-9,14,18H,4,7,10-12H2,1-3H3
InChIKeyKGMMXBAGGRJJJQ-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine (CID 64837940) is 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine is CCCC1CNC(C)(C)CN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
The InChIKey is KGMMXBAGGRJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-7-14-10-18-16(2,3)12-19(14)11-13-8-5-6-9-15(13)17/h5-6,8-9,14,18H,4,7,10-12H2,1-3H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine has a molecular weight of 325.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine is sourced from PubChem (CID 64837940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).