N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine

C15H27F3N2O — CID 103060409

IUPACN-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
SMILESCCCNC1CCOCC1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-2-6-19-14-5-8-21-11-12(14)9-20-7-3-4-13(10-20)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyLJUAGAPFQXQAFG-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.67
Rot. Bonds5

About N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine

N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine (PubChem CID 103060409) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
PubChem CID103060409
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
SMILESCCCNC1CCOCC1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-2-6-19-14-5-8-21-11-12(14)9-20-7-3-4-13(10-20)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyLJUAGAPFQXQAFG-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine with MolForge

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine
CID 103060560
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
CID 66255259
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
CID 103059767
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-propyloxolan-3-amine
CID 113335831
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62973885
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
The IUPAC name of N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine (CID 103060409) is N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
The canonical SMILES for N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine is CCCNC1CCOCC1CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
The InChIKey is LJUAGAPFQXQAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-6-19-14-5-8-21-11-12(14)9-20-7-3-4-13(10-20)15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine?
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine is sourced from PubChem (CID 103060409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).