1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine

C18H23BrN2 — CID 81267331

IUPAC1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc3cc(Br)ccc3c2)CCN1
InChIInChI=1S/C18H23BrN2/c1-13(2)9-17-12-21(8-7-20-17)18-6-4-14-10-16(19)5-3-15(14)11-18/h3-6,10-11,13,17,20H,7-9,12H2,1-2H3
InChIKeyFSUFFGCCJNSDPN-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.43
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine

1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine (PubChem CID 81267331) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
PubChem CID81267331
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc3cc(Br)ccc3c2)CCN1
InChIInChI=1S/C18H23BrN2/c1-13(2)9-17-12-21(8-7-20-17)18-6-4-14-10-16(19)5-3-15(14)11-18/h3-6,10-11,13,17,20H,7-9,12H2,1-2H3
InChIKeyFSUFFGCCJNSDPN-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 65430675
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
1-(3-chloro-4-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64923715
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809
6-[3-(2-methylpropyl)piperazin-1-yl]-1,3-benzothiazole
CID 107806622
N,N-dimethyl-3-[3-(2-methylpropyl)piperazin-1-yl]aniline
CID 115379281
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-methylpropyl)piperazine
CID 64923799
1-(4-butylphenyl)-3-(2-methylpropyl)piperazine
CID 64924056
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944342
(3S)-1-(3-cyclobutyloxy-4-methoxyphenyl)-3-(2-methylpropyl)piperazine
CID 58188990
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 81266805
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64945227

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine (CID 81267331) is 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(c2ccc3cc(Br)ccc3c2)CCN1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine?
The InChIKey is FSUFFGCCJNSDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-13(2)9-17-12-21(8-7-20-17)18-6-4-14-10-16(19)5-3-15(14)11-18/h3-6,10-11,13,17,20H,7-9,12H2,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine?
1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine has a molecular weight of 347.30 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 81267331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).