1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine

C17H27N3 — CID 66202032

IUPAC1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
SMILESCC(CCc1ccccc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C17H27N3/c1-15(7-8-16-5-3-2-4-6-16)20-13-17(14-20)19-11-9-18-10-12-19/h2-6,15,17-18H,7-14H2,1H3
InChIKeySLCWIDNNRIOIFS-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.60
Rot. Bonds5

About 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine

1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine (PubChem CID 66202032) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
PubChem CID66202032
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
SMILESCC(CCc1ccccc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C17H27N3/c1-15(7-8-16-5-3-2-4-6-16)20-13-17(14-20)19-11-9-18-10-12-19/h2-6,15,17-18H,7-14H2,1H3
InChIKeySLCWIDNNRIOIFS-UHFFFAOYSA-N
XLogP1.60
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine (CID 66202032) is 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine is CC(CCc1ccccc1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine?
The InChIKey is SLCWIDNNRIOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15(7-8-16-5-3-2-4-6-16)20-13-17(14-20)19-11-9-18-10-12-19/h2-6,15,17-18H,7-14H2,1H3.
What are the key properties of 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine?
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66202032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).