1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol

C18H24N2O2 — CID 2769831

IUPAC1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H24N2O2/c1-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-7,12,17,21H,8-11,13-14H2,1H3
InChIKeyIQVDTBJFULZDHI-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 2769831) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID2769831
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H24N2O2/c1-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-7,12,17,21H,8-11,13-14H2,1H3
InChIKeyIQVDTBJFULZDHI-UHFFFAOYSA-N
XLogP1.83
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol 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 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 2769831) is 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol is CN1CCN(CC(O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is IQVDTBJFULZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-8-10-20(11-9-19)13-17(21)14-22-18-7-6-15-4-2-3-5-16(15)12-18/h2-7,12,17,21H,8-11,13-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 2769831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).