1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine

C17H23N3O — CID 66201644

IUPAC1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
SMILESCC(c1cc2ccccc2o1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C17H23N3O/c1-13(17-10-14-4-2-3-5-16(14)21-17)20-11-15(12-20)19-8-6-18-7-9-19/h2-5,10,13,15,18H,6-9,11-12H2,1H3
InChIKeyWDXHSTAMTMKQRF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.08
Rot. Bonds3

About 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine

1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine (PubChem CID 66201644) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
PubChem CID66201644
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
SMILESCC(c1cc2ccccc2o1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C17H23N3O/c1-13(17-10-14-4-2-3-5-16(14)21-17)20-11-15(12-20)19-8-6-18-7-9-19/h2-5,10,13,15,18H,6-9,11-12H2,1H3
InChIKeyWDXHSTAMTMKQRF-UHFFFAOYSA-N
XLogP2.08
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063666
1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
CID 66203957
1-[1-[1-(2-nitrophenyl)ethyl]azetidin-3-yl]piperazine
CID 66201068
1-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]piperazine
CID 66201448
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79609925
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
CID 66202018
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 63897517
1-benzofuran-2-yl(1,4-diazabicyclo[2.2.2]octan-2-yl)methanol
CID 114727004

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine (CID 66201644) is 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine is CC(c1cc2ccccc2o1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine?
The InChIKey is WDXHSTAMTMKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(17-10-14-4-2-3-5-16(14)21-17)20-11-15(12-20)19-8-6-18-7-9-19/h2-5,10,13,15,18H,6-9,11-12H2,1H3.
What are the key properties of 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine?
1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine has a molecular weight of 285.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66201644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).