N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine

C24H32N2O — CID 10133403

IUPACN-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O/c1-4-15-26(16-5-1)17-6-18-27-22-12-9-20(10-13-22)19-25-24-14-11-21-7-2-3-8-23(21)24/h2-3,7-10,12-13,24-25H,1,4-6,11,14-19H2
InChIKeyYGOIFRUGFXCGRG-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.72
Rot. Bonds8

About N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine

N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 10133403) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID10133403
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O/c1-4-15-26(16-5-1)17-6-18-27-22-12-9-20(10-13-22)19-25-24-14-11-21-7-2-3-8-23(21)24/h2-3,7-10,12-13,24-25H,1,4-6,11,14-19H2
InChIKeyYGOIFRUGFXCGRG-UHFFFAOYSA-N
XLogP4.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine (CID 10133403) is N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is c1ccc2c(c1)CCC2NCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YGOIFRUGFXCGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-4-15-26(16-5-1)17-6-18-27-22-12-9-20(10-13-22)19-25-24-14-11-21-7-2-3-8-23(21)24/h2-3,7-10,12-13,24-25H,1,4-6,11,14-19H2.
What are the key properties of N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine?
N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 364.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 10133403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).