N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine

C25H36N2O2 — CID 24948318

IUPACN,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
SMILESCN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C25H36N2O2/c1-26(2)19-15-25(22-11-5-3-6-12-22)29-24-14-9-13-23(21-24)28-20-10-18-27-16-7-4-8-17-27/h3,5-6,9,11-14,21,25H,4,7-8,10,15-20H2,1-2H3
InChIKeySJHXLGHZTJJLPZ-UHFFFAOYSA-N
MW396.57 g/mol
LogP5.01
Rot. Bonds11

About N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine

N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine (PubChem CID 24948318) has the molecular formula C25H36N2O2 and a molecular weight of 396.57 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
PubChem CID24948318
Molecular FormulaC25H36N2O2
Molecular Weight396.57 g/mol
Exact Mass396.28
IUPAC NameN,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
SMILESCN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C25H36N2O2/c1-26(2)19-15-25(22-11-5-3-6-12-22)29-24-14-9-13-23(21-24)28-20-10-18-27-16-7-4-8-17-27/h3,5-6,9,11-14,21,25H,4,7-8,10,15-20H2,1-2H3
InChIKeySJHXLGHZTJJLPZ-UHFFFAOYSA-N
XLogP5.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine (CID 24948318) is N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine is CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
The InChIKey is SJHXLGHZTJJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-26(2)19-15-25(22-11-5-3-6-12-22)29-24-14-9-13-23(21-24)28-20-10-18-27-16-7-4-8-17-27/h3,5-6,9,11-14,21,25H,4,7-8,10,15-20H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine?
N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine has a molecular weight of 396.57 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-[3-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 24948318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).