6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

C21H26N2O2 — CID 4881824

IUPAC6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCOc1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-7-5-19(6-8-20)23-11-9-22(10-12-23)15-18-13-16-3-2-4-17(16)14-21(18)24/h5-8,13-14,24H,2-4,9-12,15H2,1H3
InChIKeyDQCQUKZQVRZXPQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.21
Rot. Bonds4

About 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 4881824) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID4881824
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCOc1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-7-5-19(6-8-20)23-11-9-22(10-12-23)15-18-13-16-3-2-4-17(16)14-21(18)24/h5-8,13-14,24H,2-4,9-12,15H2,1H3
InChIKeyDQCQUKZQVRZXPQ-UHFFFAOYSA-N
XLogP3.21
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
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-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424
1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760170
1-[2-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760347
1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10807686
1-[(4-Methoxy-2,3-dimethylphenyl)methyl]-4-phenylpiperazine
CID 785690
1-(4-Methoxyphenyl)-4-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 46910386
1-(4-methoxyphenyl)-4-[(2R)-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran-5-yl]piperazine
CID 46910387

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol (CID 4881824) is 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol is COc1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1.
What is the InChIKey of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is DQCQUKZQVRZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-7-5-19(6-8-20)23-11-9-22(10-12-23)15-18-13-16-3-2-4-17(16)14-21(18)24/h5-8,13-14,24H,2-4,9-12,15H2,1H3.
What are the key properties of 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 338.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 4881824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).