[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol

C15H21F3N2O — CID 154136864

IUPAC[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol
SMILESCCN1CCN(Cc2ccc(CO)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c1-2-19-5-7-20(8-6-19)10-13-4-3-12(11-21)9-14(13)15(16,17)18/h3-4,9,21H,2,5-8,10-11H2,1H3
InChIKeyBZAHFTLMEUVLCN-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.34
Rot. Bonds4

About [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol

[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol (PubChem CID 154136864) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol
PubChem CID154136864
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol
SMILESCCN1CCN(Cc2ccc(CO)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c1-2-19-5-7-20(8-6-19)10-13-4-3-12(11-21)9-14(13)15(16,17)18/h3-4,9,21H,2,5-8,10-11H2,1H3
InChIKeyBZAHFTLMEUVLCN-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol (CID 154136864) is [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol is CCN1CCN(Cc2ccc(CO)cc2C(F)(F)F)CC1.
What is the InChIKey of [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is BZAHFTLMEUVLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-19-5-7-20(8-6-19)10-13-4-3-12(11-21)9-14(13)15(16,17)18/h3-4,9,21H,2,5-8,10-11H2,1H3.
What are the key properties of [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol?
[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 154136864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).