[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol

C12H17FN2O — CID 115360754

IUPAC[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ncccc2F)CCCC1
InChIInChI=1S/C12H17FN2O/c13-10-4-3-7-14-11(10)15-8-12(9-16)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8-9H2,(H,14,15)
InChIKeyZZHAUDXEWXJONN-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.19
Rot. Bonds4

About [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol

[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol (PubChem CID 115360754) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
PubChem CID115360754
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ncccc2F)CCCC1
InChIInChI=1S/C12H17FN2O/c13-10-4-3-7-14-11(10)15-8-12(9-16)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8-9H2,(H,14,15)
InChIKeyZZHAUDXEWXJONN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113371010
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115456994
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115455727
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
CID 103967298
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
CID 126769914
[1-[(thieno[3,2-c]pyridin-4-ylamino)methyl]cyclohexyl]methanol
CID 112697561
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 114836032
[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
CID 115360695

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol (CID 115360754) is [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol is OCC1(CNc2ncccc2F)CCCC1.
What is the InChIKey of [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is ZZHAUDXEWXJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-4-3-7-14-11(10)15-8-12(9-16)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8-9H2,(H,14,15).
What are the key properties of [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 224.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115360754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).