2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol

C12H17FN2O — CID 104953775

IUPAC2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCc1cncc(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-4-9(6-15-8-11)5-14-7-10-2-1-3-12(10)16/h4,6,8,10,12,14,16H,1-3,5,7H2
InChIKeyPANIQGKRMUPBAR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.47
Rot. Bonds4

About 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol

2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 104953775) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID104953775
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNCc1cncc(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-4-9(6-15-8-11)5-14-7-10-2-1-3-12(10)16/h4,6,8,10,12,14,16H,1-3,5,7H2
InChIKeyPANIQGKRMUPBAR-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

Analyze 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883
1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287
2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 115980488
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 102878907
N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
CID 104811205
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 115526586
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-fluoro-3-pyridinyl)methyl]methanamine
CID 104953641
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol (CID 104953775) is 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol is OC1CCCC1CNCc1cncc(F)c1.
What is the InChIKey of 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PANIQGKRMUPBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-4-9(6-15-8-11)5-14-7-10-2-1-3-12(10)16/h4,6,8,10,12,14,16H,1-3,5,7H2.
What are the key properties of 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol?
2-[[(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 2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 104953775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).