[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol

C12H16ClFN2O — CID 66077215

IUPAC[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol
SMILESNc1cc(Cl)c(F)cc1N1CCCC(CO)C1
InChIInChI=1S/C12H16ClFN2O/c13-9-4-11(15)12(5-10(9)14)16-3-1-2-8(6-16)7-17/h4-5,8,17H,1-3,6-7,15H2
InChIKeyCJOJQFMNVKJRMM-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.27
Rot. Bonds2

About [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol

[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol (PubChem CID 66077215) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol
PubChem CID66077215
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol
SMILESNc1cc(Cl)c(F)cc1N1CCCC(CO)C1
InChIInChI=1S/C12H16ClFN2O/c13-9-4-11(15)12(5-10(9)14)16-3-1-2-8(6-16)7-17/h4-5,8,17H,1-3,6-7,15H2
InChIKeyCJOJQFMNVKJRMM-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.27
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 [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol (CID 66077215) is [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol is Nc1cc(Cl)c(F)cc1N1CCCC(CO)C1.
What is the InChIKey of [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol?
The InChIKey is CJOJQFMNVKJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-9-4-11(15)12(5-10(9)14)16-3-1-2-8(6-16)7-17/h4-5,8,17H,1-3,6-7,15H2.
What are the key properties of [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol?
[1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol has a molecular weight of 258.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-chloro-5-fluorophenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 66077215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).