2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine

C14H27F3N2O2 — CID 62581844

IUPAC2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C14H27F3N2O2/c1-20-10-6-18-11-13-5-2-3-7-19(13)8-4-9-21-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyRSRAURJTOPKXFR-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.05
Rot. Bonds10

About 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 62581844) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
PubChem CID62581844
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCCOCC(F)(F)F
InChIInChI=1S/C14H27F3N2O2/c1-20-10-6-18-11-13-5-2-3-7-19(13)8-4-9-21-12-14(15,16)17/h13,18H,2-12H2,1H3
InChIKeyRSRAURJTOPKXFR-UHFFFAOYSA-N
XLogP2.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine (CID 62581844) is 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1CCCOCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is RSRAURJTOPKXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-20-10-6-18-11-13-5-2-3-7-19(13)8-4-9-21-12-14(15,16)17/h13,18H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 312.38 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62581844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).