4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine

C21H40N2 — CID 130224167

IUPAC4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C(C)(C)N2CC(C(C)(C)C3CCC3)C2)CC1
InChIInChI=1S/C21H40N2/c1-16(2)22-12-10-18(11-13-22)21(5,6)23-14-19(15-23)20(3,4)17-8-7-9-17/h16-19H,7-15H2,1-6H3
InChIKeyXOMOFUNEGQHIMV-UHFFFAOYSA-N
MW320.57 g/mol
LogP4.64
Rot. Bonds5

About 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine

4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine (PubChem CID 130224167) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine
PubChem CID130224167
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C(C)(C)N2CC(C(C)(C)C3CCC3)C2)CC1
InChIInChI=1S/C21H40N2/c1-16(2)22-12-10-18(11-13-22)21(5,6)23-14-19(15-23)20(3,4)17-8-7-9-17/h16-19H,7-15H2,1-6H3
InChIKeyXOMOFUNEGQHIMV-UHFFFAOYSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine (CID 130224167) is 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(C(C)(C)N2CC(C(C)(C)C3CCC3)C2)CC1.
What is the InChIKey of 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine?
The InChIKey is XOMOFUNEGQHIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-16(2)22-12-10-18(11-13-22)21(5,6)23-14-19(15-23)20(3,4)17-8-7-9-17/h16-19H,7-15H2,1-6H3.
What are the key properties of 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine?
4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine has a molecular weight of 320.57 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-cyclobutylpropan-2-yl)azetidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 130224167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).