1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine

C18H27BrN2 — CID 64861791

IUPAC1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
SMILESCCC1(CC)CN(Cc2cccc(Br)c2)C(C2CC2)CN1
InChIInChI=1S/C18H27BrN2/c1-3-18(4-2)13-21(17(11-20-18)15-8-9-15)12-14-6-5-7-16(19)10-14/h5-7,10,15,17,20H,3-4,8-9,11-13H2,1-2H3
InChIKeyNVPGERDZBHZGSU-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.19
Rot. Bonds5

About 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine

1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine (PubChem CID 64861791) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
PubChem CID64861791
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
SMILESCCC1(CC)CN(Cc2cccc(Br)c2)C(C2CC2)CN1
InChIInChI=1S/C18H27BrN2/c1-3-18(4-2)13-21(17(11-20-18)15-8-9-15)12-14-6-5-7-16(19)10-14/h5-7,10,15,17,20H,3-4,8-9,11-13H2,1-2H3
InChIKeyNVPGERDZBHZGSU-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-5,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861983
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65491763
1-[(3-bromophenyl)methyl]-2-butan-2-yl-5-ethyl-5-methylpiperazine
CID 64847926
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
CID 64847175
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
2-cyclopropyl-5,5-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016627
2-cyclopropyl-5,5-diethyl-1-(2-methylsulfanylethyl)piperazine
CID 113474584
1-[(3-bromophenyl)methyl]-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 64871008
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine (CID 64861791) is 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine is CCC1(CC)CN(Cc2cccc(Br)c2)C(C2CC2)CN1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine?
The InChIKey is NVPGERDZBHZGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-3-18(4-2)13-21(17(11-20-18)15-8-9-15)12-14-6-5-7-16(19)10-14/h5-7,10,15,17,20H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine?
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine has a molecular weight of 351.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine is sourced from PubChem (CID 64861791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).