2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine

C16H26N2S — CID 64862427

IUPAC2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-3-12(2)16-9-17-15(13-6-7-13)11-18(16)10-14-5-4-8-19-14/h4-5,8,12-13,15-17H,3,6-7,9-11H2,1-2H3
InChIKeyBANRQKZFENAUQJ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.35
Rot. Bonds5

About 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine

2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine (PubChem CID 64862427) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
PubChem CID64862427
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1Cc1cccs1
InChIInChI=1S/C16H26N2S/c1-3-12(2)16-9-17-15(13-6-7-13)11-18(16)10-14-5-4-8-19-14/h4-5,8,12-13,15-17H,3,6-7,9-11H2,1-2H3
InChIKeyBANRQKZFENAUQJ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
CID 64862227
5-ethyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64843483
2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2,5-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64859740
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648
5-phenyl-2-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine
CID 64876116
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
5-butan-2-yl-2-cyclopropyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64848434
2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
CID 106458816
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
CID 64859732

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine (CID 64862427) is 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine is CCC(C)C1CNC(C2CC2)CN1Cc1cccs1.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine?
The InChIKey is BANRQKZFENAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-12(2)16-9-17-15(13-6-7-13)11-18(16)10-14-5-4-8-19-14/h4-5,8,12-13,15-17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine?
2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine has a molecular weight of 278.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-cyclopropyl-1-(thiophen-2-ylmethyl)piperazine is sourced from PubChem (CID 64862427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).