2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol

C19H22ClFN2O2 — CID 25378499

IUPAC2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc(Cl)c1O
InChIInChI=1S/C19H22ClFN2O2/c1-25-18-9-13(8-17(20)19(18)24)11-23-7-3-6-16(12-23)22-15-5-2-4-14(21)10-15/h2,4-5,8-10,16,22,24H,3,6-7,11-12H2,1H3/t16-/m1/s1
InChIKeyFPGKEXRRMRUDIA-MRXNPFEDSA-N
MW364.85 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol

2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol (PubChem CID 25378499) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
PubChem CID25378499
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc(Cl)c1O
InChIInChI=1S/C19H22ClFN2O2/c1-25-18-9-13(8-17(20)19(18)24)11-23-7-3-6-16(12-23)22-15-5-2-4-14(21)10-15/h2,4-5,8-10,16,22,24H,3,6-7,11-12H2,1H3/t16-/m1/s1
InChIKeyFPGKEXRRMRUDIA-MRXNPFEDSA-N
XLogP4.27
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol with MolForge

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Related Compounds

5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-chlorophenyl)methanone
CID 26328496
5-chloro-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 45208052
5-chloro-4-[[(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42526335
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26336876
N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45223319
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
ethyl 4-[(3S)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 30727989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol (CID 25378499) is 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol is COc1cc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol?
The InChIKey is FPGKEXRRMRUDIA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-25-18-9-13(8-17(20)19(18)24)11-23-7-3-6-16(12-23)22-15-5-2-4-14(21)10-15/h2,4-5,8-10,16,22,24H,3,6-7,11-12H2,1H3/t16-/m1/s1.
What are the key properties of 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol?
2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol has a molecular weight of 364.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol is sourced from PubChem (CID 25378499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).