3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol

C20H28N2O2 — CID 82263112

IUPAC3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
SMILESCCCOc1ccc2ccccc2c1C(O)CCN1CCNCC1
InChIInChI=1S/C20H28N2O2/c1-2-15-24-19-8-7-16-5-3-4-6-17(16)20(19)18(23)9-12-22-13-10-21-11-14-22/h3-8,18,21,23H,2,9-15H2,1H3
InChIKeyUYAQTLCJKFRENW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.96
Rot. Bonds7

About 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol

3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol (PubChem CID 82263112) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
PubChem CID82263112
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
SMILESCCCOc1ccc2ccccc2c1C(O)CCN1CCNCC1
InChIInChI=1S/C20H28N2O2/c1-2-15-24-19-8-7-16-5-3-4-6-17(16)20(19)18(23)9-12-22-13-10-21-11-14-22/h3-8,18,21,23H,2,9-15H2,1H3
InChIKeyUYAQTLCJKFRENW-UHFFFAOYSA-N
XLogP2.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-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 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
The IUPAC name of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol (CID 82263112) is 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol is CCCOc1ccc2ccccc2c1C(O)CCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
The InChIKey is UYAQTLCJKFRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-15-24-19-8-7-16-5-3-4-6-17(16)20(19)18(23)9-12-22-13-10-21-11-14-22/h3-8,18,21,23H,2,9-15H2,1H3.
What are the key properties of 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol?
3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 82263112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).