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

C14H21F6NO — CID 177292091

IUPAC4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2COCC2C(F)(F)F)CC1
InChIInChI=1S/C14H21F6NO/c1-9(2)12(14(18,19)20)3-5-21(6-4-12)11-8-22-7-10(11)13(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeySYGWCKOSPGBEKV-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.86
Rot. Bonds2

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

4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine (PubChem CID 177292091) has the molecular formula C14H21F6NO and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine
PubChem CID177292091
Molecular FormulaC14H21F6NO
Molecular Weight333.32 g/mol
Exact Mass333.15
IUPAC Name4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine
SMILESCC(C)C1(C(F)(F)F)CCN(C2COCC2C(F)(F)F)CC1
InChIInChI=1S/C14H21F6NO/c1-9(2)12(14(18,19)20)3-5-21(6-4-12)11-8-22-7-10(11)13(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeySYGWCKOSPGBEKV-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.86
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-[4-(trifluoromethyl)oxolan-3-yl]piperidine?
The IUPAC name of 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine (CID 177292091) is 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine.
What is the SMILES notation for 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine?
The canonical SMILES for 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine is CC(C)C1(C(F)(F)F)CCN(C2COCC2C(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine?
The InChIKey is SYGWCKOSPGBEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F6NO/c1-9(2)12(14(18,19)20)3-5-21(6-4-12)11-8-22-7-10(11)13(15,16)17/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine?
4-propan-2-yl-4-(trifluoromethyl)-1-[4-(trifluoromethyl)oxolan-3-yl]piperidine has a molecular weight of 333.32 g/mol, XLogP of 3.86, 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-[4-(trifluoromethyl)oxolan-3-yl]piperidine is sourced from PubChem (CID 177292091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).