3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol

C15H21F3N2O — CID 3844372

IUPAC3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cccc(C)c1N1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c1-11-4-3-5-12(2)14(11)20-8-6-19(7-9-20)10-13(21)15(16,17)18/h3-5,13,21H,6-10H2,1-2H3
InChIKeyVWYXTBSYLBLTRM-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.35
Rot. Bonds3

About 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 3844372) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID3844372
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cccc(C)c1N1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c1-11-4-3-5-12(2)14(11)20-8-6-19(7-9-20)10-13(21)15(16,17)18/h3-5,13,21H,6-10H2,1-2H3
InChIKeyVWYXTBSYLBLTRM-UHFFFAOYSA-N
XLogP2.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
(2R)-3-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 100639005
1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 2765894
1,1,1-trifluoro-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 63900205
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 3482388
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
3-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 107112140
1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol
CID 173271836
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
(2R)-1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1479938

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 3844372) is 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol is Cc1cccc(C)c1N1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VWYXTBSYLBLTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-4-3-5-12(2)14(11)20-8-6-19(7-9-20)10-13(21)15(16,17)18/h3-5,13,21H,6-10H2,1-2H3.
What are the key properties of 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 302.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 3844372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).