1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine

C16H25N3 — CID 170687978

IUPAC1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2cccc(N3CCC3)c2)CC1
InChIInChI=1S/C16H25N3/c1-14(2)17-9-11-19(12-10-17)16-6-3-5-15(13-16)18-7-4-8-18/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKeyUQBXOLYHXXDRIF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.43
Rot. Bonds3

About 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine

1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine (PubChem CID 170687978) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
PubChem CID170687978
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2cccc(N3CCC3)c2)CC1
InChIInChI=1S/C16H25N3/c1-14(2)17-9-11-19(12-10-17)16-6-3-5-15(13-16)18-7-4-8-18/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKeyUQBXOLYHXXDRIF-UHFFFAOYSA-N
XLogP2.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine (CID 170687978) is 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(c2cccc(N3CCC3)c2)CC1.
What is the InChIKey of 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine?
The InChIKey is UQBXOLYHXXDRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14(2)17-9-11-19(12-10-17)16-6-3-5-15(13-16)18-7-4-8-18/h3,5-6,13-14H,4,7-12H2,1-2H3.
What are the key properties of 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine?
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine has a molecular weight of 259.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170687978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).