(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine

C15H21F3N2O — CID 10149558

IUPAC(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
SMILESCOC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNC[C@@H]1C
InChIInChI=1S/C15H21F3N2O/c1-11-9-19-7-8-20(11)14(10-21-2)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyURQFAVGDNQPJAB-FZMZJTMJSA-N
MW302.34 g/mol
LogP2.69
Rot. Bonds4

About (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine

(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine (PubChem CID 10149558) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
PubChem CID10149558
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine
SMILESCOC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNC[C@@H]1C
InChIInChI=1S/C15H21F3N2O/c1-11-9-19-7-8-20(11)14(10-21-2)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14-/m0/s1
InChIKeyURQFAVGDNQPJAB-FZMZJTMJSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
(2S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-[4-(trifluoromethyl)phenyl]aziridine
CID 12030449
2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 69041767
N,N-dimethyl-2-(2-methylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83978741
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662
1-(1-methoxypentan-2-yl)-2-methylpiperazine
CID 64931136
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
(2R)-1-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 68931957
2-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539241
(2S)-1-[bis(4-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 162512220
[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 59824017

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine?
The IUPAC name of (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine (CID 10149558) is (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine.
What is the SMILES notation for (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine?
The canonical SMILES for (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine is COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNC[C@@H]1C.
What is the InChIKey of (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine?
The InChIKey is URQFAVGDNQPJAB-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-9-19-7-8-20(11)14(10-21-2)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine?
(2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine has a molecular weight of 302.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine is sourced from PubChem (CID 10149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).