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

C17H30N2S — CID 64937010

IUPAC5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(C)s2)C(C(C)C)CN1
InChIInChI=1S/C17H30N2S/c1-6-13(4)16-11-19(17(9-18-16)12(2)3)10-15-8-7-14(5)20-15/h7-8,12-13,16-18H,6,9-11H2,1-5H3
InChIKeySNUJVDMEQLQKMJ-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.90
Rot. Bonds5

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

5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64937010) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID64937010
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(C)s2)C(C(C)C)CN1
InChIInChI=1S/C17H30N2S/c1-6-13(4)16-11-19(17(9-18-16)12(2)3)10-15-8-7-14(5)20-15/h7-8,12-13,16-18H,6,9-11H2,1-5H3
InChIKeySNUJVDMEQLQKMJ-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
3-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64952957
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
1-[(3-bromothiophen-2-yl)methyl]-2,5-di(butan-2-yl)piperazine
CID 64848042
1-[(5-bromothiophen-2-yl)methyl]-3-butan-2-yl-7-methyl-1,4-diazepane
CID 64870754
3-[2-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421485
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine (CID 64937010) is 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine is CCC(C)C1CN(Cc2ccc(C)s2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is SNUJVDMEQLQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-13(4)16-11-19(17(9-18-16)12(2)3)10-15-8-7-14(5)20-15/h7-8,12-13,16-18H,6,9-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine?
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 294.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).