[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol

C13H20FN3O — CID 134711273

IUPAC[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNc1ccncc1F
InChIInChI=1S/C13H20FN3O/c14-12-9-15-5-4-13(12)16-6-8-17-7-2-1-3-11(17)10-18/h4-5,9,11,18H,1-3,6-8,10H2,(H,15,16)
InChIKeyOEQQRLSBDRQXGY-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.48
Rot. Bonds5

About [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol

[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol (PubChem CID 134711273) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
PubChem CID134711273
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNc1ccncc1F
InChIInChI=1S/C13H20FN3O/c14-12-9-15-5-4-13(12)16-6-8-17-7-2-1-3-11(17)10-18/h4-5,9,11,18H,1-3,6-8,10H2,(H,15,16)
InChIKeyOEQQRLSBDRQXGY-UHFFFAOYSA-N
XLogP1.48
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131
N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420
[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 97144581
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-isoquinolin-5-ylurea
CID 118783725
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
CID 131906846
(3-fluoro-4-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 64950702
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95870007

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol (CID 134711273) is [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCNc1ccncc1F.
What is the InChIKey of [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is OEQQRLSBDRQXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-12-9-15-5-4-13(12)16-6-8-17-7-2-1-3-11(17)10-18/h4-5,9,11,18H,1-3,6-8,10H2,(H,15,16).
What are the key properties of [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol?
[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 253.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 134711273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).