(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C14H18F4N2O — CID 107288531

IUPAC(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCN1CCN(C)C(C(O)c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C14H18F4N2O/c1-19-5-6-20(2)12(8-19)13(21)9-3-4-10(11(15)7-9)14(16,17)18/h3-4,7,12-13,21H,5-6,8H2,1-2H3
InChIKeyMQWWVMVPAYOYKK-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.12
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107288531) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107288531
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCN1CCN(C)C(C(O)c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C14H18F4N2O/c1-19-5-6-20(2)12(8-19)13(21)9-3-4-10(11(15)7-9)14(16,17)18/h3-4,7,12-13,21H,5-6,8H2,1-2H3
InChIKeyMQWWVMVPAYOYKK-UHFFFAOYSA-N
XLogP2.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
CID 223284
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10381919
Allosedamine
CID 433956
(R*,R*)-(+-)-1-Methyl-alpha-phenyl-2-piperidineethanol
CID 121504
Tolperisone metabolite
CID 121335
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 15917977
(1S,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 44335394
(1S,2S)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 44532141
(1S,2S)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 44532142
(1R,2R)-2-(2-methylbutan-2-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683348
1-Phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 3895296
3-[Benzyl(propan-2-yl)amino]-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 59570718

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107288531) is (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is CN1CCN(C)C(C(O)c2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is MQWWVMVPAYOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-19-5-6-20(2)12(8-19)13(21)9-3-4-10(11(15)7-9)14(16,17)18/h3-4,7,12-13,21H,5-6,8H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 306.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107288531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).