2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol

C14H20ClFN2O — CID 92770253

IUPAC2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO
InChIInChI=1S/C14H20ClFN2O/c1-17-6-7-18(9-11(17)5-8-19)10-12-13(15)3-2-4-14(12)16/h2-4,11,19H,5-10H2,1H3/t11-/m0/s1
InChIKeyGBHHQVIOMSAFEW-NSHDSACASA-N
MW286.78 g/mol
LogP1.98
Rot. Bonds4

About 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol

2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 92770253) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID92770253
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO
InChIInChI=1S/C14H20ClFN2O/c1-17-6-7-18(9-11(17)5-8-19)10-12-13(15)3-2-4-14(12)16/h2-4,11,19H,5-10H2,1H3/t11-/m0/s1
InChIKeyGBHHQVIOMSAFEW-NSHDSACASA-N
XLogP1.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45251201
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98575794
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-(2-chloroethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane
CID 63387643
[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol
CID 126829492
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
2-[4-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 45190547
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 92770253) is 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is GBHHQVIOMSAFEW-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-17-6-7-18(9-11(17)5-8-19)10-12-13(15)3-2-4-14(12)16/h2-4,11,19H,5-10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 286.78 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 92770253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).