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

C17H19BrN2 — CID 763885

IUPAC1-[(3-bromophenyl)methyl]-4-phenylpiperazine
SMILESBrc1cccc(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H19BrN2/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyIBOJYAHHQFJTCO-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.77
Rot. Bonds3

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

1-[(3-bromophenyl)methyl]-4-phenylpiperazine (PubChem CID 763885) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4-phenylpiperazine
PubChem CID763885
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name1-[(3-bromophenyl)methyl]-4-phenylpiperazine
SMILESBrc1cccc(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H19BrN2/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyIBOJYAHHQFJTCO-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bamipine
CID 72075
Phenbenzamine
CID 13751
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
1-(Cyclohexylmethyl)-4-phenylpiperazine
CID 743404
N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
n,n-Dibenzyl-4-bromoaniline
CID 285423
1-Phenyl-4-(2-phenylpropyl)piperazine
CID 2845633
1-Phenyl-4-(3-phenyl-cyclohex-3-enylmethyl)-piperazine
CID 10359439
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
CID 57342889

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4-phenylpiperazine (CID 763885) is 1-[(3-bromophenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4-phenylpiperazine is Brc1cccc(CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4-phenylpiperazine?
The InChIKey is IBOJYAHHQFJTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-4-phenylpiperazine?
1-[(3-bromophenyl)methyl]-4-phenylpiperazine has a molecular weight of 331.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 763885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).