1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine

C21H29BrN2 — CID 22193882

IUPAC1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine
SMILESBrc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C21H29BrN2/c22-20-3-1-15(2-4-20)14-23-5-7-24(8-6-23)21-18-10-16-9-17(12-18)13-19(21)11-16/h1-4,16-19,21H,5-14H2
InChIKeyUGYWQERUHRFFTI-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.39
Rot. Bonds3

About 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine

1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine (PubChem CID 22193882) has the molecular formula C21H29BrN2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine
PubChem CID22193882
Molecular FormulaC21H29BrN2
Molecular Weight389.38 g/mol
Exact Mass388.15
IUPAC Name1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine
SMILESBrc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C21H29BrN2/c22-20-3-1-15(2-4-20)14-23-5-7-24(8-6-23)21-18-10-16-9-17(12-18)13-19(21)11-16/h1-4,16-19,21H,5-14H2
InChIKeyUGYWQERUHRFFTI-UHFFFAOYSA-N
XLogP4.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
CID 23881244
1-(2-bicyclo[2.2.1]heptanyl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366690
1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
CID 23792304
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1148367
3-[(4-bromophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 178122769
2-[(4-bromophenyl)methyl]adamantane
CID 159890644
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778
1-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 52542822
1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
CID 119128198

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine?
The IUPAC name of 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine (CID 22193882) is 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine is Brc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine?
The InChIKey is UGYWQERUHRFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2/c22-20-3-1-15(2-4-20)14-23-5-7-24(8-6-23)21-18-10-16-9-17(12-18)13-19(21)11-16/h1-4,16-19,21H,5-14H2.
What are the key properties of 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine?
1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine has a molecular weight of 389.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine is sourced from PubChem (CID 22193882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).