1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine

C14H19BrN2 — CID 64926247

IUPAC1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCC1(C2CC2)CN(c2cccc(Br)c2)CCN1
InChIInChI=1S/C14H19BrN2/c1-14(11-5-6-11)10-17(8-7-16-14)13-4-2-3-12(15)9-13/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyNCAQXTFHIFBJLU-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine

1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine (PubChem CID 64926247) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine
PubChem CID64926247
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCC1(C2CC2)CN(c2cccc(Br)c2)CCN1
InChIInChI=1S/C14H19BrN2/c1-14(11-5-6-11)10-17(8-7-16-14)13-4-2-3-12(15)9-13/h2-4,9,11,16H,5-8,10H2,1H3
InChIKeyNCAQXTFHIFBJLU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,4-dimethylphenyl)-3-methylpiperazine
CID 64923831
3-cyclopropyl-3-methyl-1-(3-methylsulfanylphenyl)-1,4-diazepane
CID 64943759
1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924297
3-(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)-N,N-dimethylaniline
CID 115379292
3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
CID 64920015
3-cyclopropyl-1-(4-methoxy-3-methylphenyl)-3-methylpiperazine
CID 64926348
1-(5-bromo-2-chlorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64949392
1-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924494
1-[2-(3-bromophenoxy)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64832893
1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924308
3-cyclopropyl-3-methyl-1-(2-methylphenyl)piperazine
CID 64926213
1-[(3-bromophenyl)methyl]-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 64871008

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine?
The IUPAC name of 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine (CID 64926247) is 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine.
What is the SMILES notation for 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine?
The canonical SMILES for 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine is CC1(C2CC2)CN(c2cccc(Br)c2)CCN1.
What is the InChIKey of 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine?
The InChIKey is NCAQXTFHIFBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-14(11-5-6-11)10-17(8-7-16-14)13-4-2-3-12(15)9-13/h2-4,9,11,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine?
1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine has a molecular weight of 295.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-cyclopropyl-3-methylpiperazine is sourced from PubChem (CID 64926247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).