N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C26H35F3N2O2 — CID 24947199

IUPACN,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C26H35F3N2O2/c1-30(2)19-15-25(33-24-13-9-22(10-14-24)26(27,28)29)21-7-11-23(12-8-21)32-20-6-18-31-16-4-3-5-17-31/h7-14,25H,3-6,15-20H2,1-2H3
InChIKeyVANUKJZCLCPEFJ-UHFFFAOYSA-N
MW464.57 g/mol
LogP6.03
Rot. Bonds11

About N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 24947199) has the molecular formula C26H35F3N2O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID24947199
Molecular FormulaC26H35F3N2O2
Molecular Weight464.57 g/mol
Exact Mass464.27
IUPAC NameN,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C26H35F3N2O2/c1-30(2)19-15-25(33-24-13-9-22(10-14-24)26(27,28)29)21-7-11-23(12-8-21)32-20-6-18-31-16-4-3-5-17-31/h7-14,25H,3-6,15-20H2,1-2H3
InChIKeyVANUKJZCLCPEFJ-UHFFFAOYSA-N
XLogP6.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 56.03
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-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 24947199) is N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is VANUKJZCLCPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N2O2/c1-30(2)19-15-25(33-24-13-9-22(10-14-24)26(27,28)29)21-7-11-23(12-8-21)32-20-6-18-31-16-4-3-5-17-31/h7-14,25H,3-6,15-20H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
N,N-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 464.57 g/mol, XLogP of 6.03, 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-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 24947199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).