1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine

C16H25BrN2 — CID 64840164

IUPAC1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Br)cc2)C(C)(C)CN1
InChIInChI=1S/C16H25BrN2/c1-4-5-15-11-19(16(2,3)12-18-15)10-13-6-8-14(17)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyURTYTZHBEKJMHG-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.80
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine

1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine (PubChem CID 64840164) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
PubChem CID64840164
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Br)cc2)C(C)(C)CN1
InChIInChI=1S/C16H25BrN2/c1-4-5-15-11-19(16(2,3)12-18-15)10-13-6-8-14(17)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyURTYTZHBEKJMHG-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-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine (CID 64840164) is 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine is CCCC1CN(Cc2ccc(Br)cc2)C(C)(C)CN1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
The InChIKey is URTYTZHBEKJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-5-15-11-19(16(2,3)12-18-15)10-13-6-8-14(17)9-7-13/h6-9,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine?
1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-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-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine is sourced from PubChem (CID 64840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).