2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide

C10H18F3N3O3 — CID 175748741

IUPAC2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-7-6-9-4-5-11(7)8(12)10(2)3;3-2(4,5)1(6)7/h7,9H,4-6H2,1-3H3;(H,6,7)/t7-;/m0./s1
InChIKeyBDGBXLNQDFUIBB-FJXQXJEOSA-N
MW285.27 g/mol
LogP0.60
Rot. Bonds

About 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide

2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide (PubChem CID 175748741) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide
PubChem CID175748741
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Name2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(=O)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N3O.C2HF3O2/c1-7-6-9-4-5-11(7)8(12)10(2)3;3-2(4,5)1(6)7/h7,9H,4-6H2,1-3H3;(H,6,7)/t7-;/m0./s1
InChIKeyBDGBXLNQDFUIBB-FJXQXJEOSA-N
XLogP0.60
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 172777636
(2R)-2-methyl-1-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 135347784
(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 146455396
2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
CID 174972322
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 172731821
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide (CID 175748741) is 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide is C[C@H]1CNCCN1C(=O)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide?
The InChIKey is BDGBXLNQDFUIBB-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17N3O.C2HF3O2/c1-7-6-9-4-5-11(7)8(12)10(2)3;3-2(4,5)1(6)7/h7,9H,4-6H2,1-3H3;(H,6,7)/t7-;/m0./s1.
What are the key properties of 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide?
2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide has a molecular weight of 285.27 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;(2S)-N,N,2-trimethylpiperazine-1-carboxamide is sourced from PubChem (CID 175748741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).