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

C26H38N2O2 — CID 24947378

IUPACN,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
InChIKeyCRUWXQPBIKVAJO-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.32
Rot. Bonds11

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

N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (PubChem CID 24947378) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
PubChem CID24947378
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC NameN,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine
SMILESCc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
InChIKeyCRUWXQPBIKVAJO-UHFFFAOYSA-N
XLogP5.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine (CID 24947378) is N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is Cc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
The InChIKey is CRUWXQPBIKVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine?
N,N-dimethyl-3-(4-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine has a molecular weight of 410.60 g/mol, XLogP of 5.32, 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-methylphenoxy)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 24947378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).