1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine

C26H28N2O — CID 147483769

IUPAC1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)o1
InChIInChI=1S/C26H28N2O/c1-19-9-10-26(29-19)18-27-24-11-13-28(14-12-24)25-8-4-7-22(17-25)23-15-20-5-2-3-6-21(20)16-23/h2-10,15,17,24,27H,11-14,16,18H2,1H3
InChIKeyFEDZTAWMIUWFFU-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.44
Rot. Bonds5

About 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine

1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine (PubChem CID 147483769) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
PubChem CID147483769
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)o1
InChIInChI=1S/C26H28N2O/c1-19-9-10-26(29-19)18-27-24-11-13-28(14-12-24)25-8-4-7-22(17-25)23-15-20-5-2-3-6-21(20)16-23/h2-10,15,17,24,27H,11-14,16,18H2,1H3
InChIKeyFEDZTAWMIUWFFU-UHFFFAOYSA-N
XLogP5.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 149116280
1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-inden-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 157093060
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 45213648
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 31134379
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
CID 47621541
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpiperidin-4-amine
CID 103776102
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 45177170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine (CID 147483769) is 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine is Cc1ccc(CNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)o1.
What is the InChIKey of 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
The InChIKey is FEDZTAWMIUWFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-19-9-10-26(29-19)18-27-24-11-13-28(14-12-24)25-8-4-7-22(17-25)23-15-20-5-2-3-6-21(20)16-23/h2-10,15,17,24,27H,11-14,16,18H2,1H3.
What are the key properties of 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine?
1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine has a molecular weight of 384.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 147483769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).