1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol

C12H17ClFN3O — CID 45228384

IUPAC1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H17ClFN3O/c13-9-6-11(14)12(16-7-9)15-3-5-17-4-1-2-10(18)8-17/h6-7,10,18H,1-5,8H2,(H,15,16)
InChIKeyGMLAAEDKCXECOL-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol

1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol (PubChem CID 45228384) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol
PubChem CID45228384
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol
SMILESOC1CCCN(CCNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H17ClFN3O/c13-9-6-11(14)12(16-7-9)15-3-5-17-4-1-2-10(18)8-17/h6-7,10,18H,1-5,8H2,(H,15,16)
InChIKeyGMLAAEDKCXECOL-UHFFFAOYSA-N
XLogP1.74
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol (CID 45228384) is 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol is OC1CCCN(CCNc2ncc(Cl)cc2F)C1.
What is the InChIKey of 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol?
The InChIKey is GMLAAEDKCXECOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O/c13-9-6-11(14)12(16-7-9)15-3-5-17-4-1-2-10(18)8-17/h6-7,10,18H,1-5,8H2,(H,15,16).
What are the key properties of 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol?
1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol has a molecular weight of 273.74 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethyl]piperidin-3-ol is sourced from PubChem (CID 45228384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).