1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C12H20F3NO — CID 177292078

IUPAC1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2COC2)CC1
InChIInChI=1S/C12H20F3NO/c1-9(2)11(12(13,14)15)3-5-16(6-4-11)10-7-17-8-10/h9-10H,3-8H2,1-2H3
InChIKeyXBSITQCLQXGNIF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.69
Rot. Bonds2

About 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 177292078) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID177292078
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2COC2)CC1
InChIInChI=1S/C12H20F3NO/c1-9(2)11(12(13,14)15)3-5-16(6-4-11)10-7-17-8-10/h9-10H,3-8H2,1-2H3
InChIKeyXBSITQCLQXGNIF-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 177292078) is 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)C1(C(F)(F)F)CCN(C2COC2)CC1.
What is the InChIKey of 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is XBSITQCLQXGNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-9(2)11(12(13,14)15)3-5-16(6-4-11)10-7-17-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 251.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 177292078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).