3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol

C24H28N2O2 — CID 4147302

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
SMILESCOc1ccc(N2CCN(CCC(O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18,24,27H,12-17H2,1H3
InChIKeyYLTRVLLAUCLYTN-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol

3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol (PubChem CID 4147302) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
PubChem CID4147302
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol
SMILESCOc1ccc(N2CCN(CCC(O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H28N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18,24,27H,12-17H2,1H3
InChIKeyYLTRVLLAUCLYTN-UHFFFAOYSA-N
XLogP4.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Naphthyloxy-1-(4-phenylpiperazinyl)propan-2-ol
CID 260310
3-(4-(4-Methoxyphenyl)-1-piperazinyl)-1-(2-naphthyl)-1-propanone
CID 3490010
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-ethyl]-4-phenyl-piperazine
CID 10569886
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617865
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760347
1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine
CID 9863333
1-(2-Methoxyphenyl)-4-[[3-(2-methoxyphenyl)-4-methylphenyl]methyl]piperazine
CID 134137104
Piperazine, 1-(3-(1-naphthalenyloxy)propyl)-4-phenyl-
CID 3069151
1-(Naphthalen-1-yloxy)-3-(4-p-tolylpiperazin-1-yl)propan-2-ol
CID 260314
1-(2-Ethoxyphenyl)-4-(1-naphthylmethyl)piperazine
CID 792265

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol (CID 4147302) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol is COc1ccc(N2CCN(CCC(O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is YLTRVLLAUCLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18,24,27H,12-17H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol?
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 376.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 4147302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).