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

C24H27N3O3 — CID 164612234

IUPAC[4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C24H27N3O3/c28-14-17-1-5-20(6-2-17)23-24(21-7-3-18(15-29)4-8-21)27-22(13-26-23)30-16-19-9-11-25-12-10-19/h1-8,13,19,25,28-29H,9-12,14-16H2
InChIKeyCXZZWTRYHPVACP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.17
Rot. Bonds7

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

[4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol (PubChem CID 164612234) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol
PubChem CID164612234
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C24H27N3O3/c28-14-17-1-5-20(6-2-17)23-24(21-7-3-18(15-29)4-8-21)27-22(13-26-23)30-16-19-9-11-25-12-10-19/h1-8,13,19,25,28-29H,9-12,14-16H2
InChIKeyCXZZWTRYHPVACP-UHFFFAOYSA-N
XLogP3.17
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol (CID 164612234) is [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol is OCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol?
The InChIKey is CXZZWTRYHPVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-14-17-1-5-20(6-2-17)23-24(21-7-3-18(15-29)4-8-21)27-22(13-26-23)30-16-19-9-11-25-12-10-19/h1-8,13,19,25,28-29H,9-12,14-16H2.
What are the key properties of [4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol?
[4-[3-[4-(hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol has a molecular weight of 405.50 g/mol, XLogP of 3.17, 7 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-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 164612234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).