4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine

C15H23F6NO — CID 170394864

IUPAC4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2CCOCC2C(F)(F)F)CC1
InChIInChI=1S/C15H23F6NO/c1-10(2)13(15(19,20)21)4-6-22(7-5-13)12-3-8-23-9-11(12)14(16,17)18/h10-12H,3-9H2,1-2H3
InChIKeyAZMJMVCNDFLMMJ-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.25
Rot. Bonds2

About 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine

4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine (PubChem CID 170394864) has the molecular formula C15H23F6NO and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine
PubChem CID170394864
Molecular FormulaC15H23F6NO
Molecular Weight347.34 g/mol
Exact Mass347.17
IUPAC Name4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2CCOCC2C(F)(F)F)CC1
InChIInChI=1S/C15H23F6NO/c1-10(2)13(15(19,20)21)4-6-22(7-5-13)12-3-8-23-9-11(12)14(16,17)18/h10-12H,3-9H2,1-2H3
InChIKeyAZMJMVCNDFLMMJ-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine?
The IUPAC name of 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine (CID 170394864) is 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine.
What is the SMILES notation for 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine?
The canonical SMILES for 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine is CC(C)C1(C(F)(F)F)CCN(C2CCOCC2C(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine?
The InChIKey is AZMJMVCNDFLMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F6NO/c1-10(2)13(15(19,20)21)4-6-22(7-5-13)12-3-8-23-9-11(12)14(16,17)18/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine?
4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine has a molecular weight of 347.34 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)oxan-4-yl]piperidine is sourced from PubChem (CID 170394864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).