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

C14H21FN2O — CID 100846119

IUPAC(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol
SMILESC[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11-9-16(2)6-7-17(11)10-14(18)12-4-3-5-13(15)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyLBKFPEFWVKURFF-BXUZGUMPSA-N
MW252.33 g/mol
LogP1.50
Rot. Bonds3

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

(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol (PubChem CID 100846119) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol
PubChem CID100846119
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol
SMILESC[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-11-9-16(2)6-7-17(11)10-14(18)12-4-3-5-13(15)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyLBKFPEFWVKURFF-BXUZGUMPSA-N
XLogP1.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol
CID 100857129
1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol
CID 71877571
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
1-[(2R)-2-[(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315418
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanol
CID 124787639
2-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-1-(3-fluorophenyl)ethanol
CID 167893801
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol
CID 95322467
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol (CID 100846119) is (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol is C[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc(F)c1.
What is the InChIKey of (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol?
The InChIKey is LBKFPEFWVKURFF-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-9-16(2)6-7-17(11)10-14(18)12-4-3-5-13(15)8-12/h3-5,8,11,14,18H,6-7,9-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol?
(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol has a molecular weight of 252.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 100846119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).