1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine

C14H23ClN2S — CID 106043841

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CCc2ccc(Cl)s2)C(C)CN1
InChIInChI=1S/C14H23ClN2S/c1-3-4-12-10-17(11(2)9-16-12)8-7-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyZYXYNDQTEXRRNS-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine

1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine (PubChem CID 106043841) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
PubChem CID106043841
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(CCc2ccc(Cl)s2)C(C)CN1
InChIInChI=1S/C14H23ClN2S/c1-3-4-12-10-17(11(2)9-16-12)8-7-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyZYXYNDQTEXRRNS-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
CID 64846938
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 106043817
1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80697266
9-[2-(5-chlorothiophen-2-yl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 106043887
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
CID 106044003
1-(2-methoxyethyl)-2-methyl-5-propylpiperazine
CID 64846555
1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 65317892
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64846379
1-(2-ethylbutyl)-2-methyl-5-propylpiperazine
CID 82923566
1-(2-butoxyethyl)-2-methyl-5-propylpiperazine
CID 64846186
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine (CID 106043841) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine is CCCC1CN(CCc2ccc(Cl)s2)C(C)CN1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine?
The InChIKey is ZYXYNDQTEXRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-3-4-12-10-17(11(2)9-16-12)8-7-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine?
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine has a molecular weight of 286.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 106043841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).