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

C14H23N3S — CID 66202216

IUPAC1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
SMILESCCC(c1cccs1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H23N3S/c1-2-13(14-4-3-9-18-14)17-10-12(11-17)16-7-5-15-6-8-16/h3-4,9,12-13,15H,2,5-8,10-11H2,1H3
InChIKeyPRJBTXDOGJUFEK-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.79
Rot. Bonds4

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

1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine (PubChem CID 66202216) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
PubChem CID66202216
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
SMILESCCC(c1cccs1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H23N3S/c1-2-13(14-4-3-9-18-14)17-10-12(11-17)16-7-5-15-6-8-16/h3-4,9,12-13,15H,2,5-8,10-11H2,1H3
InChIKeyPRJBTXDOGJUFEK-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine
CID 66201258
1-[(1S)-1-thiophen-2-ylpentyl]piperazine
CID 171309479
1-[(1R)-1-thiophen-2-ylpentyl]piperazine;dihydrochloride
CID 171308182
1-[(1R)-4-methyl-1-thiophen-2-ylpentyl]piperazine
CID 171311169
1-(1-heptan-4-ylazetidin-3-yl)piperazine
CID 66203956
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316642
2-methyl-1-(1-thiophen-2-ylbutyl)piperazine
CID 64930120
2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 82078137
1-[(1R)-2-fluoro-1-thiophen-2-ylethyl]piperazine;dihydrochloride
CID 171294136
1-[(1R)-2-cyclopropyl-1-thiophen-2-ylethyl]piperazine
CID 171294145
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine (CID 66202216) is 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine is CCC(c1cccs1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine?
The InChIKey is PRJBTXDOGJUFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-13(14-4-3-9-18-14)17-10-12(11-17)16-7-5-15-6-8-16/h3-4,9,12-13,15H,2,5-8,10-11H2,1H3.
What are the key properties of 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine?
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine has a molecular weight of 265.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66202216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).