2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol

C15H21F3N2O — CID 45213559

IUPAC2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1CCO
InChIInChI=1S/C15H21F3N2O/c1-19-7-8-20(11-14(19)6-9-21)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,14,21H,6-11H2,1H3
InChIKeyJMJZSQPRCCYYHS-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.20
Rot. Bonds4

About 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol

2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol (PubChem CID 45213559) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
PubChem CID45213559
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1CCO
InChIInChI=1S/C15H21F3N2O/c1-19-7-8-20(11-14(19)6-9-21)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,14,21H,6-11H2,1H3
InChIKeyJMJZSQPRCCYYHS-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45220474
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253
2-[(2S)-4-(1-benzothiophen-5-ylmethyl)-1-methylpiperazin-2-yl]ethanol
CID 29088518
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
(6S)-N,1-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 124976732
2-[4-[2-(3-chlorophenyl)ethyl]-1-methylpiperazin-2-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 171321187
2-[4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886299
2-[(2R)-1-(2-methylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 98586542
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
2-[1-(2,2-dimethylpropyl)-4-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211012

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol (CID 45213559) is 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol is CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1CCO.
What is the InChIKey of 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
The InChIKey is JMJZSQPRCCYYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-19-7-8-20(11-14(19)6-9-21)10-12-2-4-13(5-3-12)15(16,17)18/h2-5,14,21H,6-11H2,1H3.
What are the key properties of 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45213559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).