1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol

C19H21F3N2O — CID 47625369

IUPAC1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(CNCc3ccc(F)cc3F)cc2F)CC1
InChIInChI=1S/C19H21F3N2O/c20-15-3-2-14(17(21)10-15)12-23-11-13-1-4-19(18(22)9-13)24-7-5-16(25)6-8-24/h1-4,9-10,16,23,25H,5-8,11-12H2
InChIKeyYOHLPYAEGKLJHL-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol

1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol (PubChem CID 47625369) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
PubChem CID47625369
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(CNCc3ccc(F)cc3F)cc2F)CC1
InChIInChI=1S/C19H21F3N2O/c20-15-3-2-14(17(21)10-15)12-23-11-13-1-4-19(18(22)9-13)24-7-5-16(25)6-8-24/h1-4,9-10,16,23,25H,5-8,11-12H2
InChIKeyYOHLPYAEGKLJHL-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 110905906
1-[2-fluoro-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]piperidin-4-ol
CID 47625289
1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 56796904
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702
1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
CID 114679351
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-nitrocyclopropane-1-carboxamide
CID 71886355
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol (CID 47625369) is 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol is OC1CCN(c2ccc(CNCc3ccc(F)cc3F)cc2F)CC1.
What is the InChIKey of 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol?
The InChIKey is YOHLPYAEGKLJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-15-3-2-14(17(21)10-15)12-23-11-13-1-4-19(18(22)9-13)24-7-5-16(25)6-8-24/h1-4,9-10,16,23,25H,5-8,11-12H2.
What are the key properties of 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol?
1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol has a molecular weight of 350.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol is sourced from PubChem (CID 47625369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).