[4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol

C25H29N3O3 — CID 164621469

IUPAC[4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C25H29N3O3/c29-16-19-1-5-21(6-2-19)24-25(22-7-3-20(17-30)4-8-22)28-23(15-27-24)31-14-11-18-9-12-26-13-10-18/h1-8,15,18,26,29-30H,9-14,16-17H2
InChIKeyUQJZUTUKEGLEMX-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.56
Rot. Bonds8

About [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol

[4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol (PubChem CID 164621469) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol
PubChem CID164621469
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C25H29N3O3/c29-16-19-1-5-21(6-2-19)24-25(22-7-3-20(17-30)4-8-22)28-23(15-27-24)31-14-11-18-9-12-26-13-10-18/h1-8,15,18,26,29-30H,9-14,16-17H2
InChIKeyUQJZUTUKEGLEMX-UHFFFAOYSA-N
XLogP3.56
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol (CID 164621469) is [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol is OCc1ccc(-c2ncc(OCCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol?
The InChIKey is UQJZUTUKEGLEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-16-19-1-5-21(6-2-19)24-25(22-7-3-20(17-30)4-8-22)28-23(15-27-24)31-14-11-18-9-12-26-13-10-18/h1-8,15,18,26,29-30H,9-14,16-17H2.
What are the key properties of [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol?
[4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol has a molecular weight of 419.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(hydroxymethyl)phenyl]-5-(2-piperidin-4-ylethoxy)pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 164621469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).