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

C11H19F3N2O — CID 66238146

IUPAC4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9-2-1-3-16(5-9)4-8-6-17-7-10(8)15/h8-10H,1-7,15H2
InChIKeyLILHZDRPSBLVPO-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.23
Rot. Bonds2

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

4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (PubChem CID 66238146) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
PubChem CID66238146
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9-2-1-3-16(5-9)4-8-6-17-7-10(8)15/h8-10H,1-7,15H2
InChIKeyLILHZDRPSBLVPO-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54989584
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CID 55259527
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CID 55260305
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CID 61490444
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CID 61490935
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CID 61881870
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CID 62575497
CID 62575497

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (CID 66238146) is 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is NC1COCC1CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The InChIKey is LILHZDRPSBLVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)9-2-1-3-16(5-9)4-8-6-17-7-10(8)15/h8-10H,1-7,15H2.
What are the key properties of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine has a molecular weight of 252.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66238146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).