4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol

C22H30FN3O2 — CID 22248303

IUPAC4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol
SMILESCC(C)(C)Oc1nccnc1CN1CCC(O)(CCc2ccccc2F)CC1
InChIInChI=1S/C22H30FN3O2/c1-21(2,3)28-20-19(24-12-13-25-20)16-26-14-10-22(27,11-15-26)9-8-17-6-4-5-7-18(17)23/h4-7,12-13,27H,8-11,14-16H2,1-3H3
InChIKeyVWUNTRKKCWFJFB-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.75
Rot. Bonds6

About 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol

4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol (PubChem CID 22248303) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol
PubChem CID22248303
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol
SMILESCC(C)(C)Oc1nccnc1CN1CCC(O)(CCc2ccccc2F)CC1
InChIInChI=1S/C22H30FN3O2/c1-21(2,3)28-20-19(24-12-13-25-20)16-26-14-10-22(27,11-15-26)9-8-17-6-4-5-7-18(17)23/h4-7,12-13,27H,8-11,14-16H2,1-3H3
InChIKeyVWUNTRKKCWFJFB-UHFFFAOYSA-N
XLogP3.75
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol (CID 22248303) is 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol is CC(C)(C)Oc1nccnc1CN1CCC(O)(CCc2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol?
The InChIKey is VWUNTRKKCWFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-21(2,3)28-20-19(24-12-13-25-20)16-26-14-10-22(27,11-15-26)9-8-17-6-4-5-7-18(17)23/h4-7,12-13,27H,8-11,14-16H2,1-3H3.
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol?
4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol has a molecular weight of 387.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 22248303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).