5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine

C18H30N2S — CID 64940311

IUPAC5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
SMILESCc1ccc(CC(C)N2CC(C3CC3)NCC2C(C)C)s1
InChIInChI=1S/C18H30N2S/c1-12(2)18-10-19-17(15-6-7-15)11-20(18)13(3)9-16-8-5-14(4)21-16/h5,8,12-13,15,17-19H,6-7,9-11H2,1-4H3
InChIKeyZPFWYTDNYJVPTG-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.70
Rot. Bonds5

About 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine

5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine (PubChem CID 64940311) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
PubChem CID64940311
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
SMILESCc1ccc(CC(C)N2CC(C3CC3)NCC2C(C)C)s1
InChIInChI=1S/C18H30N2S/c1-12(2)18-10-19-17(15-6-7-15)11-20(18)13(3)9-16-8-5-14(4)21-16/h5,8,12-13,15,17-19H,6-7,9-11H2,1-4H3
InChIKeyZPFWYTDNYJVPTG-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-(1-methoxypropan-2-yl)-2-propan-2-ylpiperazine
CID 64932375
2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
CID 64936688
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64947386
5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947427
2-ethyl-5-(2-methylpropyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941278
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
5-cyclopropyl-2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]piperazine
CID 64940977
5-cyclopropyl-1-[(5-fluoro-2-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 105375744
5-cyclopropyl-1-(3-methylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64934402
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64861649
1-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-propan-2-yl-1,4-diazepane
CID 64950824

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine (CID 64940311) is 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine is Cc1ccc(CC(C)N2CC(C3CC3)NCC2C(C)C)s1.
What is the InChIKey of 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
The InChIKey is ZPFWYTDNYJVPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-12(2)18-10-19-17(15-6-7-15)11-20(18)13(3)9-16-8-5-14(4)21-16/h5,8,12-13,15,17-19H,6-7,9-11H2,1-4H3.
What are the key properties of 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine has a molecular weight of 306.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64940311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).