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

C13H22F3NO — CID 177292232

IUPAC1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2CCOC2)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)12(13(14,15)16)4-6-17(7-5-12)11-3-8-18-9-11/h10-11H,3-9H2,1-2H3
InChIKeyLVWDGXQTJNGUBB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.08
Rot. Bonds2

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

1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 177292232) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID177292232
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2CCOC2)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)12(13(14,15)16)4-6-17(7-5-12)11-3-8-18-9-11/h10-11H,3-9H2,1-2H3
InChIKeyLVWDGXQTJNGUBB-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 177292232) is 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)C1(C(F)(F)F)CCN(C2CCOC2)CC1.
What is the InChIKey of 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is LVWDGXQTJNGUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(2)12(13(14,15)16)4-6-17(7-5-12)11-3-8-18-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 265.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 177292232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).