3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol

C12H17FN2O — CID 103270855

IUPAC3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cncc(F)c2)C1
InChIInChI=1S/C12H17FN2O/c13-11-3-10(7-15-8-11)6-14-5-9-1-2-12(16)4-9/h3,7-9,12,14,16H,1-2,4-6H2
InChIKeyRFCKBMMXOMWKLU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.47
Rot. Bonds4

About 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol

3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270855) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270855
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCc2cncc(F)c2)C1
InChIInChI=1S/C12H17FN2O/c13-11-3-10(7-15-8-11)6-14-5-9-1-2-12(16)4-9/h3,7-9,12,14,16H,1-2,4-6H2
InChIKeyRFCKBMMXOMWKLU-UHFFFAOYSA-N
XLogP1.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol (CID 103270855) is 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol is OC1CCC(CNCc2cncc(F)c2)C1.
What is the InChIKey of 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is RFCKBMMXOMWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-3-10(7-15-8-11)6-14-5-9-1-2-12(16)4-9/h3,7-9,12,14,16H,1-2,4-6H2.
What are the key properties of 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).