2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol

C13H18ClFN2O — CID 66078542

IUPAC2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol
SMILESNc1cc(Cl)c(F)cc1N1CCCCC1CCO
InChIInChI=1S/C13H18ClFN2O/c14-10-7-12(16)13(8-11(10)15)17-5-2-1-3-9(17)4-6-18/h7-9,18H,1-6,16H2
InChIKeyVYPAUHNBWOGUAN-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol

2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol (PubChem CID 66078542) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol
PubChem CID66078542
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol
SMILESNc1cc(Cl)c(F)cc1N1CCCCC1CCO
InChIInChI=1S/C13H18ClFN2O/c14-10-7-12(16)13(8-11(10)15)17-5-2-1-3-9(17)4-6-18/h7-9,18H,1-6,16H2
InChIKeyVYPAUHNBWOGUAN-UHFFFAOYSA-N
XLogP2.80
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol (CID 66078542) is 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol is Nc1cc(Cl)c(F)cc1N1CCCCC1CCO.
What is the InChIKey of 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol?
The InChIKey is VYPAUHNBWOGUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-10-7-12(16)13(8-11(10)15)17-5-2-1-3-9(17)4-6-18/h7-9,18H,1-6,16H2.
What are the key properties of 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol?
2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol has a molecular weight of 272.75 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 66078542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).