1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine

C14H22N2S — CID 56716320

IUPAC1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine
SMILESCCC/C=C/c1csc(CN2CCNCC2)c1
InChIInChI=1S/C14H22N2S/c1-2-3-4-5-13-10-14(17-12-13)11-16-8-6-15-7-9-16/h4-5,10,12,15H,2-3,6-9,11H2,1H3/b5-4+
InChIKeyZLXFINPNQQGTEE-SNAWJCMRSA-N
MW250.41 g/mol
LogP2.97
Rot. Bonds5

About 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine

1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine (PubChem CID 56716320) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine
PubChem CID56716320
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine
SMILESCCC/C=C/c1csc(CN2CCNCC2)c1
InChIInChI=1S/C14H22N2S/c1-2-3-4-5-13-10-14(17-12-13)11-16-8-6-15-7-9-16/h4-5,10,12,15H,2-3,6-9,11H2,1H3/b5-4+
InChIKeyZLXFINPNQQGTEE-SNAWJCMRSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl[(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 16187615
1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
1-(Thien-2-ylmethyl)piperazine
CID 566208
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine (CID 56716320) is 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine is CCC/C=C/c1csc(CN2CCNCC2)c1.
What is the InChIKey of 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine?
The InChIKey is ZLXFINPNQQGTEE-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-3-4-5-13-10-14(17-12-13)11-16-8-6-15-7-9-16/h4-5,10,12,15H,2-3,6-9,11H2,1H3/b5-4+.
What are the key properties of 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine?
1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(E)-pent-1-enyl]thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 56716320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).