2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol

C15H23FN2O — CID 115414890

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)CC1CN(C)CCN1C
InChIInChI=1S/C15H23FN2O/c1-11-4-5-12(16)8-14(11)15(19)9-13-10-17(2)6-7-18(13)3/h4-5,8,13,15,19H,6-7,9-10H2,1-3H3
InChIKeyRTQOISFECJOMJL-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.80
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol

2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 115414890) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID115414890
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1C(O)CC1CN(C)CCN1C
InChIInChI=1S/C15H23FN2O/c1-11-4-5-12(16)8-14(11)15(19)9-13-10-17(2)6-7-18(13)3/h4-5,8,13,15,19H,6-7,9-10H2,1-3H3
InChIKeyRTQOISFECJOMJL-UHFFFAOYSA-N
XLogP1.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-difluorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260174
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
1-(2-amino-5-methyl-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414904
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
[2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105260291
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol (CID 115414890) is 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1C(O)CC1CN(C)CCN1C.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is RTQOISFECJOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-4-5-12(16)8-14(11)15(19)9-13-10-17(2)6-7-18(13)3/h4-5,8,13,15,19H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol?
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 266.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 115414890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).