1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine

C14H23N3S — CID 66202420

IUPAC1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
SMILESCc1cc(CN2CC(N3CCNCC3)C2)c(C)s1
InChIInChI=1S/C14H23N3S/c1-11-7-13(12(2)18-11)8-16-9-14(10-16)17-5-3-15-4-6-17/h7,14-15H,3-6,8-10H2,1-2H3
InChIKeyKDVXLLYSQWQCDF-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.45
Rot. Bonds3

About 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine

1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 66202420) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
PubChem CID66202420
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
SMILESCc1cc(CN2CC(N3CCNCC3)C2)c(C)s1
InChIInChI=1S/C14H23N3S/c1-11-7-13(12(2)18-11)8-16-9-14(10-16)17-5-3-15-4-6-17/h7,14-15H,3-6,8-10H2,1-2H3
InChIKeyKDVXLLYSQWQCDF-UHFFFAOYSA-N
XLogP1.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine (CID 66202420) is 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine is Cc1cc(CN2CC(N3CCNCC3)C2)c(C)s1.
What is the InChIKey of 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is KDVXLLYSQWQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-7-13(12(2)18-11)8-16-9-14(10-16)17-5-3-15-4-6-17/h7,14-15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine?
1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 265.43 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66202420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).