1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine

C21H25BrN2 — CID 20736310

IUPAC1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
SMILESCc1cc(N2CCN(CC3CC3c3ccccc3)CC2)ccc1Br
InChIInChI=1S/C21H25BrN2/c1-16-13-19(7-8-21(16)22)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3
InChIKeyOHLPTSJMLLEKGT-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.68
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine

1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine (PubChem CID 20736310) has the molecular formula C21H25BrN2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
PubChem CID20736310
Molecular FormulaC21H25BrN2
Molecular Weight385.35 g/mol
Exact Mass384.12
IUPAC Name1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
SMILESCc1cc(N2CCN(CC3CC3c3ccccc3)CC2)ccc1Br
InChIInChI=1S/C21H25BrN2/c1-16-13-19(7-8-21(16)22)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3
InChIKeyOHLPTSJMLLEKGT-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenyl-4-(2-phenylpropyl)piperazine
CID 2845633
(Racemate)-1-Phenyl-4-(2-phenyl-cyclopropylmethyl)-piperazine
CID 10851217
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
CID 57342889
1-[3-(4-Benzylpiperidin-1-yl)propyl]-4-(4-bromophenyl)piperazine
CID 127033285
2-[[4-(4-Bromophenyl)piperazin-1-yl]methyl]-4-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 156010025
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(4-bromophenyl)propanamide
CID 166628736
1-(3-Bromobenzyl)-4-phenylpiperazine
CID 763885
US10233152, Example 33
CID 129279721
1-[2-(4-Benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine
CID 127032017
1-(3-Bromobenzyl)-4-(4-fluorophenyl)piperazine
CID 764880
1-((4-Bromophenyl)methyl)-4-phenylpiperazine
CID 764228
US10233152, Example 86
CID 129279704

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine (CID 20736310) is 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine is Cc1cc(N2CCN(CC3CC3c3ccccc3)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine?
The InChIKey is OHLPTSJMLLEKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2/c1-16-13-19(7-8-21(16)22)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine?
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine has a molecular weight of 385.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 20736310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).