2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol

C14H19F3N2O2 — CID 82962319

IUPAC2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCN(CC(F)(F)F)CC2)c1O
InChIInChI=1S/C14H19F3N2O2/c1-21-12-4-2-3-11(13(12)20)9-18-5-7-19(8-6-18)10-14(15,16)17/h2-4,20H,5-10H2,1H3
InChIKeyHVBXIAMSIZQHET-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol

2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol (PubChem CID 82962319) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
PubChem CID82962319
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCN(CC(F)(F)F)CC2)c1O
InChIInChI=1S/C14H19F3N2O2/c1-21-12-4-2-3-11(13(12)20)9-18-5-7-19(8-6-18)10-14(15,16)17/h2-4,20H,5-10H2,1H3
InChIKeyHVBXIAMSIZQHET-UHFFFAOYSA-N
XLogP2.08
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol 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-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529534
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-6-methoxyphenol
CID 82980371
(2-bromo-6-methoxyphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 171934610
2-(2,6-dimethoxyphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid
CID 134697714
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
CID 95135561
3-amino-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320977
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42165144

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol (CID 82962319) is 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol is COc1cccc(CN2CCN(CC(F)(F)F)CC2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol?
The InChIKey is HVBXIAMSIZQHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-21-12-4-2-3-11(13(12)20)9-18-5-7-19(8-6-18)10-14(15,16)17/h2-4,20H,5-10H2,1H3.
What are the key properties of 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol?
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol has a molecular weight of 304.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 82962319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).