[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine

C11H21F3N2O — CID 61490935

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-6-2-5-16-4-1-3-10(7-15)8-16/h10H,1-9,15H2
InChIKeyGNPKSTIYNXUHIN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine (PubChem CID 61490935) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine
PubChem CID61490935
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c12-11(13,14)9-17-6-2-5-16-4-1-3-10(7-15)8-16/h10H,1-9,15H2
InChIKeyGNPKSTIYNXUHIN-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine (CID 61490935) is [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine is NCC1CCCN(CCCOCC(F)(F)F)C1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine?
The InChIKey is GNPKSTIYNXUHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-11(13,14)9-17-6-2-5-16-4-1-3-10(7-15)8-16/h10H,1-9,15H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine has a molecular weight of 254.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 61490935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).