1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine

C18H21BrN2 — CID 64832086

IUPAC1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(Cc2ccc(Br)cc2)CCN1
InChIInChI=1S/C18H21BrN2/c1-18(16-5-3-2-4-6-16)14-21(12-11-20-18)13-15-7-9-17(19)10-8-15/h2-10,20H,11-14H2,1H3
InChIKeyXJDUUENMSHIDJS-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.77
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine

1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine (PubChem CID 64832086) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
PubChem CID64832086
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(Cc2ccc(Br)cc2)CCN1
InChIInChI=1S/C18H21BrN2/c1-18(16-5-3-2-4-6-16)14-21(12-11-20-18)13-15-7-9-17(19)10-8-15/h2-10,20H,11-14H2,1H3
InChIKeyXJDUUENMSHIDJS-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.77
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]-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine (CID 64832086) is 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine is CC1(c2ccccc2)CN(Cc2ccc(Br)cc2)CCN1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine?
The InChIKey is XJDUUENMSHIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-18(16-5-3-2-4-6-16)14-21(12-11-20-18)13-15-7-9-17(19)10-8-15/h2-10,20H,11-14H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine?
1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine has a molecular weight of 345.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64832086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).