(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

C10H19F3N2O — CID 104975515

IUPAC(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESC[C@@H]1CN(CCCOCC(F)(F)F)CCN1
InChIInChI=1S/C10H19F3N2O/c1-9-7-15(5-3-14-9)4-2-6-16-8-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m1/s1
InChIKeyIHWWKNOMJVBHFX-SECBINFHSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 104975515) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID104975515
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESC[C@@H]1CN(CCCOCC(F)(F)F)CCN1
InChIInChI=1S/C10H19F3N2O/c1-9-7-15(5-3-14-9)4-2-6-16-8-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m1/s1
InChIKeyIHWWKNOMJVBHFX-SECBINFHSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
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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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
3,7-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64871954
3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64834410
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
3-methyl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947779
3-cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64831509
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
3-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115522482
7-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64870390
3-chloro-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine
CID 63387608

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 104975515) is (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is C[C@@H]1CN(CCCOCC(F)(F)F)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is IHWWKNOMJVBHFX-SECBINFHSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9-7-15(5-3-14-9)4-2-6-16-8-10(11,12)13/h9,14H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine?
(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 104975515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).