N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine

C14H26F3N3O — CID 62966724

IUPACN-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
SMILESCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H26F3N3O/c1-18-10-13(2-8-21-9-3-13)11-19-4-6-20(7-5-19)12-14(15,16)17/h18H,2-12H2,1H3
InChIKeyIKYOITLDTSZUNV-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.18
Rot. Bonds5

About N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine

N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine (PubChem CID 62966724) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
PubChem CID62966724
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine
SMILESCNCC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C14H26F3N3O/c1-18-10-13(2-8-21-9-3-13)11-19-4-6-20(7-5-19)12-14(15,16)17/h18H,2-12H2,1H3
InChIKeyIKYOITLDTSZUNV-UHFFFAOYSA-N
XLogP1.18
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine (CID 62966724) is N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine is CNCC1(CN2CCN(CC(F)(F)F)CC2)CCOCC1.
What is the InChIKey of N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
The InChIKey is IKYOITLDTSZUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-18-10-13(2-8-21-9-3-13)11-19-4-6-20(7-5-19)12-14(15,16)17/h18H,2-12H2,1H3.
What are the key properties of N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine?
N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine has a molecular weight of 309.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62966724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).