1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine

C17H21BrN2S — CID 106044003

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCc1ccc(Br)s1
InChIInChI=1S/C17H21BrN2S/c1-13-11-19-16(14-5-3-2-4-6-14)12-20(13)10-9-15-7-8-17(18)21-15/h2-8,13,16,19H,9-12H2,1H3
InChIKeyLAJWSSMKAQIMHQ-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.09
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine

1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine (PubChem CID 106044003) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
PubChem CID106044003
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCc1ccc(Br)s1
InChIInChI=1S/C17H21BrN2S/c1-13-11-19-16(14-5-3-2-4-6-14)12-20(13)10-9-15-7-8-17(18)21-15/h2-8,13,16,19H,9-12H2,1H3
InChIKeyLAJWSSMKAQIMHQ-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
CID 64948447
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine
CID 114532383
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
CID 106043841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine (CID 106044003) is 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1CCc1ccc(Br)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine?
The InChIKey is LAJWSSMKAQIMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-13-11-19-16(14-5-3-2-4-6-14)12-20(13)10-9-15-7-8-17(18)21-15/h2-8,13,16,19H,9-12H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine?
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine has a molecular weight of 365.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 106044003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).