(1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate

C10H15F3N2O2 — CID 66870381

IUPAC(1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate
SMILESO=C(OC1CN(C2CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)9(16)17-8-5-15(6-8)7-1-3-14-4-2-7/h7-8,14H,1-6H2
InChIKeyOVMCVUMJPUNFTP-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.53
Rot. Bonds2

About (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate

(1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate (PubChem CID 66870381) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate
PubChem CID66870381
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name(1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate
SMILESO=C(OC1CN(C2CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)9(16)17-8-5-15(6-8)7-1-3-14-4-2-7/h7-8,14H,1-6H2
InChIKeyOVMCVUMJPUNFTP-UHFFFAOYSA-N
XLogP0.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate (CID 66870381) is (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate is O=C(OC1CN(C2CCNCC2)C1)C(F)(F)F.
What is the InChIKey of (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate?
The InChIKey is OVMCVUMJPUNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)9(16)17-8-5-15(6-8)7-1-3-14-4-2-7/h7-8,14H,1-6H2.
What are the key properties of (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate?
(1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate has a molecular weight of 252.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylazetidin-3-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 66870381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).