1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol

C19H23FN2O2 — CID 60539263

IUPAC1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O2/c20-15-5-7-17(8-6-15)24-14-11-21-18-3-1-2-4-19(18)22-12-9-16(23)10-13-22/h1-8,16,21,23H,9-14H2
InChIKeyVRMXJVDUFRHAGX-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.28
Rot. Bonds6

About 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol

1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol (PubChem CID 60539263) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol
PubChem CID60539263
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O2/c20-15-5-7-17(8-6-15)24-14-11-21-18-3-1-2-4-19(18)22-12-9-16(23)10-13-22/h1-8,16,21,23H,9-14H2
InChIKeyVRMXJVDUFRHAGX-UHFFFAOYSA-N
XLogP3.28
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
CID 110018792
1-[2-(2-methylprop-2-enylamino)phenyl]piperidin-4-ol
CID 75416206
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 99824551
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
CID 86877934
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
1-[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]piperidin-4-ol
CID 111778083
4-(4-fluorophenoxy)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 79031097
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
N-[(1S)-1-cyclopropylethyl]-2-[2-(4-hydroxypiperidin-1-yl)anilino]acetamide
CID 94631561
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol (CID 60539263) is 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol is OC1CCN(c2ccccc2NCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol?
The InChIKey is VRMXJVDUFRHAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-15-5-7-17(8-6-15)24-14-11-21-18-3-1-2-4-19(18)22-12-9-16(23)10-13-22/h1-8,16,21,23H,9-14H2.
What are the key properties of 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol?
1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol has a molecular weight of 330.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 60539263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).