4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol

C23H31FN2O3 — CID 22248250

IUPAC4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol
SMILESCC(C)(C)Oc1cccc(CCN2CCC(O)(COc3ccccc3F)CC2)n1
InChIInChI=1S/C23H31FN2O3/c1-22(2,3)29-21-10-6-7-18(25-21)11-14-26-15-12-23(27,13-16-26)17-28-20-9-5-4-8-19(20)24/h4-10,27H,11-17H2,1-3H3
InChIKeyWTYZANRVSGCTCD-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.85
Rot. Bonds7

About 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol

4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol (PubChem CID 22248250) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol
PubChem CID22248250
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol
SMILESCC(C)(C)Oc1cccc(CCN2CCC(O)(COc3ccccc3F)CC2)n1
InChIInChI=1S/C23H31FN2O3/c1-22(2,3)29-21-10-6-7-18(25-21)11-14-26-15-12-23(27,13-16-26)17-28-20-9-5-4-8-19(20)24/h4-10,27H,11-17H2,1-3H3
InChIKeyWTYZANRVSGCTCD-UHFFFAOYSA-N
XLogP3.85
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol (CID 22248250) is 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol is CC(C)(C)Oc1cccc(CCN2CCC(O)(COc3ccccc3F)CC2)n1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol?
The InChIKey is WTYZANRVSGCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O3/c1-22(2,3)29-21-10-6-7-18(25-21)11-14-26-15-12-23(27,13-16-26)17-28-20-9-5-4-8-19(20)24/h4-10,27H,11-17H2,1-3H3.
What are the key properties of 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol?
4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol has a molecular weight of 402.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 22248250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).