(2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine

C10H17F5N2 — CID 118973761

IUPAC(2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine
SMILESC[C@@H]1CN(C[C@@H](N1CC(C(F)(F)F)(F)F)C)C
InChIInChI=1S/C10H17F5N2/c1-7-4-16(3)5-8(2)17(7)6-9(11,12)10(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyKWCHGEIJSRTBRP-OCAPTIKFSA-N
MW260.25 g/mol
LogP2.70
Rot. Bonds2

About (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine

(2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine (PubChem CID 118973761) has the molecular formula C10H17F5N2 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine.

Molecular Properties

Compound Name(2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine
PubChem CID118973761
Molecular FormulaC10H17F5N2
Molecular Weight260.25 g/mol
Exact Mass260.13
IUPAC Name(2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine
SMILESC[C@@H]1CN(C[C@@H](N1CC(C(F)(F)F)(F)F)C)C
InChIInChI=1S/C10H17F5N2/c1-7-4-16(3)5-8(2)17(7)6-9(11,12)10(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+
InChIKeyKWCHGEIJSRTBRP-OCAPTIKFSA-N
XLogP2.70
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
N~1~,N~1~,N~2~-Trimethyl-N~2~-(2,2,3,3-tetrafluoropropyl)ethane-1,2-diamine
CID 13828051
1-Propan-2-yl-4-(trifluoromethyl)piperazine;dihydrochloride
CID 20283037
1-Propan-2-yl-4-(trifluoromethyl)piperazine
CID 20283038
1-(3-Fluoropropyl)-4-methylpiperazine
CID 20649680
N-[2-[butan-2-yl(propyl)amino]ethyl]-N'-(1,1-difluoroethyl)-1,1-difluoro-N,N'-bis(1,1,2,2,2-pentafluoroethyl)ethane-1,2-diamine
CID 21026477
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)piperazine
CID 48942244
Fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
CID 54384968
1-Methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 57639720
4-Ethyl-1-methyl-1-(1,1,2,2-tetrafluoroethyl)piperazin-1-ium
CID 57967219
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 58029464
1-(2-Fluoroethyl)-4-(propan-2-yl)piperazine
CID 58029889

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine?
The IUPAC name of (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine (CID 118973761) is (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine.
What is the SMILES notation for (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine?
The canonical SMILES for (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine is C[C@@H]1CN(C[C@@H](N1CC(C(F)(F)F)(F)F)C)C.
What is the InChIKey of (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine?
The InChIKey is KWCHGEIJSRTBRP-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H17F5N2/c1-7-4-16(3)5-8(2)17(7)6-9(11,12)10(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+.
What are the key properties of (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine?
(2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine has a molecular weight of 260.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,4,6-trimethyl-1-(2,2,3,3,3-pentafluoropropyl)piperazine is sourced from PubChem (CID 118973761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).