(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine

C10H19F3N2 — CID 168820917

IUPAC(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
SMILESC[C@H]1CN(C(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C10H19F3N2/c1-8-7-14(10(11,12)13)5-6-15(8)9(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyIXFCUCCJBVXCPC-QMMMGPOBSA-N
MW224.27 g/mol
LogP2.31
Rot. Bonds

About (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine

(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine (PubChem CID 168820917) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
PubChem CID168820917
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
SMILESC[C@H]1CN(C(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C10H19F3N2/c1-8-7-14(10(11,12)13)5-6-15(8)9(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyIXFCUCCJBVXCPC-QMMMGPOBSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,4-ditert-butyl-2-methylpiperazine
CID 58993903
(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 121261181
1-tert-butyl-2-methylaziridine
CID 15557486
1-(4-tert-butyl-3-methylpiperazin-1-yl)prop-2-en-1-one
CID 90440165
1-[(2S,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R,5S)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2S,5R)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R,5R)-4-tert-butyl-2,5-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2S)-4-tert-butyl-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R)-4-tert-butyl-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(3S)-4-tert-butyl-3-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one;1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 161140399
(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 170669697
1-tert-butyl-4-methyl-2-(trideuteriomethyl)piperazine
CID 170533274
ethyl 2-[(3R)-4-tert-butyl-3-methylpiperazin-1-yl]acetate
CID 159242052
4,6,11-tritert-butyl-1,4,6,11-tetrazabicyclo[3.3.3]undecane
CID 129303697
(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
CID 166870881
2-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63610457
(2R)-4-tert-butyl-2-methylpiperazine-1-carbonitrile
CID 89081107

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine?
The IUPAC name of (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine (CID 168820917) is (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine.
What is the SMILES notation for (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine?
The canonical SMILES for (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine is C[C@H]1CN(C(F)(F)F)CCN1C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine?
The InChIKey is IXFCUCCJBVXCPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8-7-14(10(11,12)13)5-6-15(8)9(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine?
(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine has a molecular weight of 224.27 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 168820917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).