4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine

C12H21F3N2O — CID 66264075

IUPAC4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESCC1(CN2CCC(C(F)(F)F)CC2)COCC1N
InChIInChI=1S/C12H21F3N2O/c1-11(8-18-6-10(11)16)7-17-4-2-9(3-5-17)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyJOLMJDYLJACFKD-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.62
Rot. Bonds2

About 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine

4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (PubChem CID 66264075) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
PubChem CID66264075
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESCC1(CN2CCC(C(F)(F)F)CC2)COCC1N
InChIInChI=1S/C12H21F3N2O/c1-11(8-18-6-10(11)16)7-17-4-2-9(3-5-17)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyJOLMJDYLJACFKD-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (CID 66264075) is 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is CC1(CN2CCC(C(F)(F)F)CC2)COCC1N.
What is the InChIKey of 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The InChIKey is JOLMJDYLJACFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-11(8-18-6-10(11)16)7-17-4-2-9(3-5-17)12(13,14)15/h9-10H,2-8,16H2,1H3.
What are the key properties of 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine has a molecular weight of 266.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66264075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).