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

C16H19F3N2O — CID 124571143

IUPAC[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESC[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c1-10-9-20-6-7-21(10)15(22)13-8-12(13)11-4-2-3-5-14(11)16(17,18)19/h2-5,10,12-13,20H,6-9H2,1H3/t10-,12+,13-/m1/s1
InChIKeyWBBFBNXGJYFLTB-KGYLQXTDSA-N
MW312.33 g/mol
LogP2.63
Rot. Bonds2

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

[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 124571143) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID124571143
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESC[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c1-10-9-20-6-7-21(10)15(22)13-8-12(13)11-4-2-3-5-14(11)16(17,18)19/h2-5,10,12-13,20H,6-9H2,1H3/t10-,12+,13-/m1/s1
InChIKeyWBBFBNXGJYFLTB-KGYLQXTDSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
3-[(1S,2S)-2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 59454528
3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 67541062
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
(4-benzylpiperazin-1-yl)-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97262774
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733139
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119250918
N-methyl-N-piperidin-4-yl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119443435
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82745694

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 124571143) is [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is WBBFBNXGJYFLTB-KGYLQXTDSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-10-9-20-6-7-21(10)15(22)13-8-12(13)11-4-2-3-5-14(11)16(17,18)19/h2-5,10,12-13,20H,6-9H2,1H3/t10-,12+,13-/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 312.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 124571143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).