1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

C14H24F3NO — CID 170394863

IUPAC1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC1CC(N2CCC(C(C)C)(C(F)(F)F)CC2)CO1
InChIInChI=1S/C14H24F3NO/c1-10(2)13(14(15,16)17)4-6-18(7-5-13)12-8-11(3)19-9-12/h10-12H,4-9H2,1-3H3
InChIKeySDSMAAGJKNWSBV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.46
Rot. Bonds2

About 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine

1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 170394863) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID170394863
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC1CC(N2CCC(C(C)C)(C(F)(F)F)CC2)CO1
InChIInChI=1S/C14H24F3NO/c1-10(2)13(14(15,16)17)4-6-18(7-5-13)12-8-11(3)19-9-12/h10-12H,4-9H2,1-3H3
InChIKeySDSMAAGJKNWSBV-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine (CID 170394863) is 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is CC1CC(N2CCC(C(C)C)(C(F)(F)F)CC2)CO1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is SDSMAAGJKNWSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(2)13(14(15,16)17)4-6-18(7-5-13)12-8-11(3)19-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine?
1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 279.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-4-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170394863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).