3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol

C17H18F3N3O — CID 75512280

IUPAC3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)15-5-2-6-21-16(15)23-9-7-22(8-10-23)12-13-3-1-4-14(24)11-13/h1-6,11,24H,7-10,12H2
InChIKeyLEJSCFLVCCPKGZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.13
Rot. Bonds3

About 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol

3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol (PubChem CID 75512280) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol
PubChem CID75512280
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)15-5-2-6-21-16(15)23-9-7-22(8-10-23)12-13-3-1-4-14(24)11-13/h1-6,11,24H,7-10,12H2
InChIKeyLEJSCFLVCCPKGZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Hydroxymirtazapine
CID 11500131
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
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Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
Azaperol
CID 3080589
4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 764635
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
3-(4-Morpholin-4-ylpyrimidin-2-yl)phenol
CID 16049456
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
4-(((4-(2-Pyridinyl)-1-piperazinyl)imino)methyl)phenol
CID 135548528
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
2-((E)-(2-Pyridinylimino)methyl)phenol
CID 135439975

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol (CID 75512280) is 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol is Oc1cccc(CN2CCN(c3ncccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol?
The InChIKey is LEJSCFLVCCPKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)15-5-2-6-21-16(15)23-9-7-22(8-10-23)12-13-3-1-4-14(24)11-13/h1-6,11,24H,7-10,12H2.
What are the key properties of 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol?
3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol has a molecular weight of 337.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 75512280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).