2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol

C14H18Cl2FNO2 — CID 145194296

IUPAC2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESOCC1CCN(C(CO)c2cc(Cl)cc(Cl)c2F)CC1
InChIInChI=1S/C14H18Cl2FNO2/c15-10-5-11(14(17)12(16)6-10)13(8-20)18-3-1-9(7-19)2-4-18/h5-6,9,13,19-20H,1-4,7-8H2
InChIKeyGJLRBWGVKJHZDP-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.87
Rot. Bonds4

About 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol

2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol (PubChem CID 145194296) has the molecular formula C14H18Cl2FNO2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol
PubChem CID145194296
Molecular FormulaC14H18Cl2FNO2
Molecular Weight322.21 g/mol
Exact Mass321.07
IUPAC Name2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESOCC1CCN(C(CO)c2cc(Cl)cc(Cl)c2F)CC1
InChIInChI=1S/C14H18Cl2FNO2/c15-10-5-11(14(17)12(16)6-10)13(8-20)18-3-1-9(7-19)2-4-18/h5-6,9,13,19-20H,1-4,7-8H2
InChIKeyGJLRBWGVKJHZDP-UHFFFAOYSA-N
XLogP2.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
CID 171174689
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
tert-butyl 3-(3,5-dichlorophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 122699768
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
1-[(1R)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171295322
4-chloro-2-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]-6-methylphenol;hydrochloride
CID 171183229
1-[(1S)-2-cyclopropyl-1-(2,3,5-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171282702
(3S)-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174691
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol (CID 145194296) is 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol is OCC1CCN(C(CO)c2cc(Cl)cc(Cl)c2F)CC1.
What is the InChIKey of 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol?
The InChIKey is GJLRBWGVKJHZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO2/c15-10-5-11(14(17)12(16)6-10)13(8-20)18-3-1-9(7-19)2-4-18/h5-6,9,13,19-20H,1-4,7-8H2.
What are the key properties of 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol?
2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol has a molecular weight of 322.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 145194296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).