piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

C15H17F3N2O — CID 124698455

IUPACpiperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)13-4-2-1-3-10(13)11-9-12(11)14(21)20-7-5-19-6-8-20/h1-4,11-12,19H,5-9H2/t11-,12-/m0/s1
InChIKeySTWOQKWJFZTCPR-RYUDHWBXSA-N
MW298.31 g/mol
LogP2.24
Rot. Bonds2

About piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 124698455) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID124698455
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Namepiperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)13-4-2-1-3-10(13)11-9-12(11)14(21)20-7-5-19-6-8-20/h1-4,11-12,19H,5-9H2/t11-,12-/m0/s1
InChIKeySTWOQKWJFZTCPR-RYUDHWBXSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124571143
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119250918
(4-benzylpiperazin-1-yl)-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97262774
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
2-[methyl-[(4R)-1-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]amino]acetic acid
CID 129429825
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 56809621
N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119443435
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 124698455) is piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is STWOQKWJFZTCPR-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)13-4-2-1-3-10(13)11-9-12(11)14(21)20-7-5-19-6-8-20/h1-4,11-12,19H,5-9H2/t11-,12-/m0/s1.
What are the key properties of piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 298.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 124698455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).