1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone

C24H31F3N4O — CID 160794599

IUPAC1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone
SMILESCN1CCNC(c2ccccc2)C1.CN1CCNC(c2ccccc2)C1C(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O.C11H16N2/c1-18-8-7-17-10(9-5-3-2-4-6-9)11(18)12(19)13(14,15)16;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,10-11,17H,7-8H2,1H3;2-6,11-12H,7-9H2,1H3
InChIKeySCGSICIGGDPLJO-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.03
Rot. Bonds3

About 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone

1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone (PubChem CID 160794599) has the molecular formula C24H31F3N4O and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone
PubChem CID160794599
Molecular FormulaC24H31F3N4O
Molecular Weight448.53 g/mol
Exact Mass448.24
IUPAC Name1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone
SMILESCN1CCNC(c2ccccc2)C1.CN1CCNC(c2ccccc2)C1C(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O.C11H16N2/c1-18-8-7-17-10(9-5-3-2-4-6-9)11(18)12(19)13(14,15)16;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,10-11,17H,7-8H2,1H3;2-6,11-12H,7-9H2,1H3
InChIKeySCGSICIGGDPLJO-UHFFFAOYSA-N
XLogP3.03
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
phenyl-(3-phenylpiperazin-1-yl)methanone
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(2S,3R)-1-methyl-2,3-diphenylpiperazine
CID 141484879
3-[4-[cyclopropyl(difluoro)methyl]phenyl]-1-methylpiperazine
CID 116992387
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
1-chloro-3-phenylpiperazine
CID 18428014
1-methyl-5-(3-phenylpiperazine-1-carbonyl)pyrrole-3-carbonitrile
CID 74246738
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone?
The IUPAC name of 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone (CID 160794599) is 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone is CN1CCNC(c2ccccc2)C1.CN1CCNC(c2ccccc2)C1C(=O)C(F)(F)F.
What is the InChIKey of 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone?
The InChIKey is SCGSICIGGDPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.C11H16N2/c1-18-8-7-17-10(9-5-3-2-4-6-9)11(18)12(19)13(14,15)16;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,10-11,17H,7-8H2,1H3;2-6,11-12H,7-9H2,1H3.
What are the key properties of 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone?
1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone has a molecular weight of 448.53 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone is sourced from PubChem (CID 160794599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).