1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride

C24H30Cl2N2O3 — CID 45283774

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
SMILESCOc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H28N2O3.2ClH/c1-28-22-11-9-20(10-12-22)26-15-13-25(14-16-26)17-21(27)18-29-24-8-4-6-19-5-2-3-7-23(19)24;;/h2-12,21,27H,13-18H2,1H3;2*1H
InChIKeyVQMFEXCBAXFHDJ-UHFFFAOYSA-N
MW465.42 g/mol
LogP4.25
Rot. Bonds7

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride (PubChem CID 45283774) has the molecular formula C24H30Cl2N2O3 and a molecular weight of 465.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
PubChem CID45283774
Molecular FormulaC24H30Cl2N2O3
Molecular Weight465.42 g/mol
Exact Mass464.16
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
SMILESCOc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1.Cl.Cl
InChIInChI=1S/C24H28N2O3.2ClH/c1-28-22-11-9-20(10-12-22)26-15-13-25(14-16-26)17-21(27)18-29-24-8-4-6-19-5-2-3-7-23(19)24;;/h2-12,21,27H,13-18H2,1H3;2*1H
InChIKeyVQMFEXCBAXFHDJ-UHFFFAOYSA-N
XLogP4.25
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1080818
(2R)-1-(2-bromophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066311
1-[2-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
CID 1263693
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-[4-[2,4-bis(methoxymethoxy)phenyl]piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 150035036
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2R)-1-(2,6-dimethoxyphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217443
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
1-[2-[4-(4-methoxyphenyl)butyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 19423948
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 92946315
1-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 6493504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride (CID 45283774) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride is COc1ccc(N2CCN(CC(O)COc3cccc4ccccc34)CC2)cc1.Cl.Cl.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
The InChIKey is VQMFEXCBAXFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.2ClH/c1-28-22-11-9-20(10-12-22)26-15-13-25(14-16-26)17-21(27)18-29-24-8-4-6-19-5-2-3-7-23(19)24;;/h2-12,21,27H,13-18H2,1H3;2*1H.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride has a molecular weight of 465.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 45283774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).