[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol

C20H26N2O2 — CID 111976536

IUPAC[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCN(Cc3cccc4ccccc34)CC2)COC1
InChIInChI=1S/C20H26N2O2/c23-14-20(15-24-16-20)13-22-10-8-21(9-11-22)12-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,23H,8-16H2
InChIKeyAQUGXZVBMPJHOE-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.97
Rot. Bonds5

About [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 111976536) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID111976536
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCN(Cc3cccc4ccccc34)CC2)COC1
InChIInChI=1S/C20H26N2O2/c23-14-20(15-24-16-20)13-22-10-8-21(9-11-22)12-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,23H,8-16H2
InChIKeyAQUGXZVBMPJHOE-UHFFFAOYSA-N
XLogP1.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]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 [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol (CID 111976536) is [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol is OCC1(CN2CCN(Cc3cccc4ccccc34)CC2)COC1.
What is the InChIKey of [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is AQUGXZVBMPJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-14-20(15-24-16-20)13-22-10-8-21(9-11-22)12-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,23H,8-16H2.
What are the key properties of [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).