1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol

C19H26FN3O — CID 111436603

IUPAC1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol
SMILESCC(NCc1cccn1C)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H26FN3O/c1-14(21-13-16-4-3-9-22(16)2)18-12-15(20)5-6-19(18)23-10-7-17(24)8-11-23/h3-6,9,12,14,17,21,24H,7-8,10-11,13H2,1-2H3
InChIKeyTZELYTVTKRIJOW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol

1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol (PubChem CID 111436603) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol
PubChem CID111436603
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol
SMILESCC(NCc1cccn1C)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C19H26FN3O/c1-14(21-13-16-4-3-9-22(16)2)18-12-15(20)5-6-19(18)23-10-7-17(24)8-11-23/h3-6,9,12,14,17,21,24H,7-8,10-11,13H2,1-2H3
InChIKeyTZELYTVTKRIJOW-UHFFFAOYSA-N
XLogP2.98
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.98
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-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol
CID 111122901
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-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
CID 133454278
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71921965
1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
CID 139003399
1-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95760155
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 96563094
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 126801869

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol (CID 111436603) is 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol is CC(NCc1cccn1C)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
The InChIKey is TZELYTVTKRIJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-14(21-13-16-4-3-9-22(16)2)18-12-15(20)5-6-19(18)23-10-7-17(24)8-11-23/h3-6,9,12,14,17,21,24H,7-8,10-11,13H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol has a molecular weight of 331.44 g/mol, XLogP of 2.98, 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-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 111436603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).