N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine

C24H28N2O — CID 57059826

IUPACN-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine
SMILESc1ccc(OCCCN2CCC(Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N2O/c1-2-10-22(11-3-1)27-19-7-16-26-17-14-21(15-18-26)25-24-13-6-9-20-8-4-5-12-23(20)24/h1-6,8-13,21,25H,7,14-19H2
InChIKeyYKGYNJGWZRKGNW-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.19
Rot. Bonds7

About N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine

N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine (PubChem CID 57059826) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine
PubChem CID57059826
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine
SMILESc1ccc(OCCCN2CCC(Nc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N2O/c1-2-10-22(11-3-1)27-19-7-16-26-17-14-21(15-18-26)25-24-13-6-9-20-8-4-5-12-23(20)24/h1-6,8-13,21,25H,7,14-19H2
InChIKeyYKGYNJGWZRKGNW-UHFFFAOYSA-N
XLogP5.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.19
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-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine?
The IUPAC name of N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine (CID 57059826) is N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine?
The canonical SMILES for N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine is c1ccc(OCCCN2CCC(Nc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine?
The InChIKey is YKGYNJGWZRKGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-2-10-22(11-3-1)27-19-7-16-26-17-14-21(15-18-26)25-24-13-6-9-20-8-4-5-12-23(20)24/h1-6,8-13,21,25H,7,14-19H2.
What are the key properties of N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine?
N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine has a molecular weight of 360.50 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-(3-phenoxypropyl)piperidin-4-amine is sourced from PubChem (CID 57059826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).