(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol

C14H21FN2O — CID 78946556

IUPAC(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
SMILESCC1CN(c2cccc(F)c2[C@H](C)O)CCN1C
InChIInChI=1S/C14H21FN2O/c1-10-9-17(8-7-16(10)3)13-6-4-5-12(15)14(13)11(2)18/h4-6,10-11,18H,7-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyHBZCHYJBZWINAJ-DTIOYNMSSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds2

About (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol (PubChem CID 78946556) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
PubChem CID78946556
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
SMILESCC1CN(c2cccc(F)c2[C@H](C)O)CCN1C
InChIInChI=1S/C14H21FN2O/c1-10-9-17(8-7-16(10)3)13-6-4-5-12(15)14(13)11(2)18/h4-6,10-11,18H,7-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyHBZCHYJBZWINAJ-DTIOYNMSSA-N
XLogP2.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol (CID 78946556) is (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol is CC1CN(c2cccc(F)c2[C@H](C)O)CCN1C.
What is the InChIKey of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is HBZCHYJBZWINAJ-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-9-17(8-7-16(10)3)13-6-4-5-12(15)14(13)11(2)18/h4-6,10-11,18H,7-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 252.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78946556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).