[4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol

C20H26N2O2 — CID 23723241

IUPAC[4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H26N2O2/c23-17-20(10-15-24-19-4-2-1-3-5-19)8-13-22(14-9-20)16-18-6-11-21-12-7-18/h1-7,11-12,23H,8-10,13-17H2
InChIKeyCAUFQLNYTGFYQN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds7

About [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol

[4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol (PubChem CID 23723241) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
PubChem CID23723241
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H26N2O2/c23-17-20(10-15-24-19-4-2-1-3-5-19)8-13-22(14-9-20)16-18-6-11-21-12-7-18/h1-7,11-12,23H,8-10,13-17H2
InChIKeyCAUFQLNYTGFYQN-UHFFFAOYSA-N
XLogP3.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol (CID 23723241) is [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol is OCC1(CCOc2ccccc2)CCN(Cc2ccncc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is CAUFQLNYTGFYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-17-20(10-15-24-19-4-2-1-3-5-19)8-13-22(14-9-20)16-18-6-11-21-12-7-18/h1-7,11-12,23H,8-10,13-17H2.
What are the key properties of [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol?
[4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 23723241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).