[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol

C31H31FN2O3 — CID 166113727

IUPAC[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol
SMILESOCC1(F)CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1
InChIInChI=1S/C31H31FN2O3/c32-31(23-35)17-19-34(20-18-31)27-13-11-26(12-14-27)28-15-16-29(36-21-24-7-3-1-4-8-24)33-30(28)37-22-25-9-5-2-6-10-25/h1-16,35H,17-23H2
InChIKeyFAUZOHJQEBMDFA-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.21
Rot. Bonds9

About [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol

[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol (PubChem CID 166113727) has the molecular formula C31H31FN2O3 and a molecular weight of 498.60 g/mol. Its IUPAC name is [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol
PubChem CID166113727
Molecular FormulaC31H31FN2O3
Molecular Weight498.60 g/mol
Exact Mass498.23
IUPAC Name[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol
SMILESOCC1(F)CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1
InChIInChI=1S/C31H31FN2O3/c32-31(23-35)17-19-34(20-18-31)27-13-11-26(12-14-27)28-15-16-29(36-21-24-7-3-1-4-8-24)33-30(28)37-22-25-9-5-2-6-10-25/h1-16,35H,17-23H2
InChIKeyFAUZOHJQEBMDFA-UHFFFAOYSA-N
XLogP6.21
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol?
The IUPAC name of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol (CID 166113727) is [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol is OCC1(F)CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2)CC1.
What is the InChIKey of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol?
The InChIKey is FAUZOHJQEBMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN2O3/c32-31(23-35)17-19-34(20-18-31)27-13-11-26(12-14-27)28-15-16-29(36-21-24-7-3-1-4-8-24)33-30(28)37-22-25-9-5-2-6-10-25/h1-16,35H,17-23H2.
What are the key properties of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol?
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol has a molecular weight of 498.60 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-fluoropiperidin-4-yl]methanol is sourced from PubChem (CID 166113727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).