1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine

C13H21N3S — CID 66194837

IUPAC1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
SMILESc1cc(CCN2CC(N3CCNCC3)C2)cs1
InChIInChI=1S/C13H21N3S/c1(12-2-8-17-11-12)5-15-9-13(10-15)16-6-3-14-4-7-16/h2,8,11,13-14H,1,3-7,9-10H2
InChIKeyQAXZQJIMAXBSES-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.88
Rot. Bonds4

About 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine

1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine (PubChem CID 66194837) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
PubChem CID66194837
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
SMILESc1cc(CCN2CC(N3CCNCC3)C2)cs1
InChIInChI=1S/C13H21N3S/c1(12-2-8-17-11-12)5-15-9-13(10-15)16-6-3-14-4-7-16/h2,8,11,13-14H,1,3-7,9-10H2
InChIKeyQAXZQJIMAXBSES-UHFFFAOYSA-N
XLogP0.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
3-tert-butyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869318
3-propan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64856486
2-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]acetic acid
CID 64618528
3-butan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64858412
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 66194828
4-chloro-1-(2-thiophen-3-ylethyl)azepane
CID 130637760
2-ethyl-2-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64832567

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine (CID 66194837) is 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine is c1cc(CCN2CC(N3CCNCC3)C2)cs1.
What is the InChIKey of 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine?
The InChIKey is QAXZQJIMAXBSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1(12-2-8-17-11-12)5-15-9-13(10-15)16-6-3-14-4-7-16/h2,8,11,13-14H,1,3-7,9-10H2.
What are the key properties of 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine?
1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine has a molecular weight of 251.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66194837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).