1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol

C19H24FN3O — CID 111122901

IUPAC1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol
SMILESCC(NCc1cccnc1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H24FN3O/c1-14(22-13-15-3-2-8-21-12-15)18-11-16(20)4-5-19(18)23-9-6-17(24)7-10-23/h2-5,8,11-12,14,17,22,24H,6-7,9-10,13H2,1H3
InChIKeyIUNNRIWEVRIVKU-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.03
Rot. Bonds5

About 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol

1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol (PubChem CID 111122901) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol
PubChem CID111122901
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol
SMILESCC(NCc1cccnc1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H24FN3O/c1-14(22-13-15-3-2-8-21-12-15)18-11-16(20)4-5-19(18)23-9-6-17(24)7-10-23/h2-5,8,11-12,14,17,22,24H,6-7,9-10,13H2,1H3
InChIKeyIUNNRIWEVRIVKU-UHFFFAOYSA-N
XLogP3.03
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol
CID 111122897
1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
CID 139003399
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
CID 133454278
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71921965
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 126797853
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol (CID 111122901) is 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol is CC(NCc1cccnc1)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
The InChIKey is IUNNRIWEVRIVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14(22-13-15-3-2-8-21-12-15)18-11-16(20)4-5-19(18)23-9-6-17(24)7-10-23/h2-5,8,11-12,14,17,22,24H,6-7,9-10,13H2,1H3.
What are the key properties of 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol has a molecular weight of 329.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 111122901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).