N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine

C11H21F3N2O — CID 54962034

IUPACN-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCN(CCCOCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O/c1-16(10-3-5-15-6-4-10)7-2-8-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyBVSWXVRLMGQUEM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine

N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (PubChem CID 54962034) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
PubChem CID54962034
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCN(CCCOCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O/c1-16(10-3-5-15-6-4-10)7-2-8-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyBVSWXVRLMGQUEM-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 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 ≤ 51.64
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 N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (CID 54962034) is N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is CN(CCCOCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The InChIKey is BVSWXVRLMGQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-16(10-3-5-15-6-4-10)7-2-8-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is sourced from PubChem (CID 54962034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).