4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine

C12H20F3NO — CID 170587571

IUPAC4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine
SMILESCCC1(C(F)(F)F)CCN(C2CCOC2)CC1
InChIInChI=1S/C12H20F3NO/c1-2-11(12(13,14)15)4-6-16(7-5-11)10-3-8-17-9-10/h10H,2-9H2,1H3
InChIKeyKKZATMRRSXPYPL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.83
Rot. Bonds2

About 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine

4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine (PubChem CID 170587571) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine
PubChem CID170587571
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine
SMILESCCC1(C(F)(F)F)CCN(C2CCOC2)CC1
InChIInChI=1S/C12H20F3NO/c1-2-11(12(13,14)15)4-6-16(7-5-11)10-3-8-17-9-10/h10H,2-9H2,1H3
InChIKeyKKZATMRRSXPYPL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine (CID 170587571) is 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine is CCC1(C(F)(F)F)CCN(C2CCOC2)CC1.
What is the InChIKey of 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is KKZATMRRSXPYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-11(12(13,14)15)4-6-16(7-5-11)10-3-8-17-9-10/h10H,2-9H2,1H3.
What are the key properties of 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine?
4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 251.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(oxolan-3-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170587571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).