3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine

C13H22N2S — CID 64924954

IUPAC3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine
SMILESCCC(c1cccs1)N1CCNC(C)(C)C1
InChIInChI=1S/C13H22N2S/c1-4-11(12-6-5-9-16-12)15-8-7-14-13(2,3)10-15/h5-6,9,11,14H,4,7-8,10H2,1-3H3
InChIKeyRHJYNUVAJIGHBL-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds3

About 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine

3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine (PubChem CID 64924954) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine
PubChem CID64924954
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine
SMILESCCC(c1cccs1)N1CCNC(C)(C)C1
InChIInChI=1S/C13H22N2S/c1-4-11(12-6-5-9-16-12)15-8-7-14-13(2,3)10-15/h5-6,9,11,14H,4,7-8,10H2,1-3H3
InChIKeyRHJYNUVAJIGHBL-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,5-trimethyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64946281
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid
CID 102660135
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
2-ethyl-5,5-dimethyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64934167
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine (CID 64924954) is 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine is CCC(c1cccs1)N1CCNC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine?
The InChIKey is RHJYNUVAJIGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-11(12-6-5-9-16-12)15-8-7-14-13(2,3)10-15/h5-6,9,11,14H,4,7-8,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine?
3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 64924954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).