[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C13H15F3N2O2 — CID 104891401

IUPAC[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C13H15F3N2O2/c1-9-8-18(7-6-17-9)12(19)10-2-4-11(5-3-10)20-13(14,15)16/h2-5,9,17H,6-8H2,1H3/t9-/m1/s1
InChIKeyQFZPWHXSMBCTNZ-SECBINFHSA-N
MW288.27 g/mol
LogP2.02
Rot. Bonds2

About [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 104891401) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID104891401
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C13H15F3N2O2/c1-9-8-18(7-6-17-9)12(19)10-2-4-11(5-3-10)20-13(14,15)16/h2-5,9,17H,6-8H2,1H3/t9-/m1/s1
InChIKeyQFZPWHXSMBCTNZ-SECBINFHSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119579326
(2S)-4-[4-(trifluoromethoxy)benzoyl]piperazine-2-carboxylic acid
CID 138665349
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
1-(3-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119579614
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629082
[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116629090

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 104891401) is [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is QFZPWHXSMBCTNZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-9-8-18(7-6-17-9)12(19)10-2-4-11(5-3-10)20-13(14,15)16/h2-5,9,17H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 288.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 104891401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).