(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine

C22H26Cl2N2O — CID 141026984

IUPAC(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine
SMILESClc1ccc(OC2CCN(CCNC/C=C/c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C22H26Cl2N2O/c23-21-9-8-20(17-22(21)24)27-19-10-14-26(15-11-19)16-13-25-12-4-7-18-5-2-1-3-6-18/h1-9,17,19,25H,10-16H2/b7-4+
InChIKeyFILVEZSPIALKJZ-QPJJXVBHSA-N
MW405.37 g/mol
LogP5.14
Rot. Bonds8

About (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine

(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine (PubChem CID 141026984) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine
PubChem CID141026984
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine
SMILESClc1ccc(OC2CCN(CCNC/C=C/c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C22H26Cl2N2O/c23-21-9-8-20(17-22(21)24)27-19-10-14-26(15-11-19)16-13-25-12-4-7-18-5-2-1-3-6-18/h1-9,17,19,25H,10-16H2/b7-4+
InChIKeyFILVEZSPIALKJZ-QPJJXVBHSA-N
XLogP5.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-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 (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine (CID 141026984) is (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine is Clc1ccc(OC2CCN(CCNC/C=C/c3ccccc3)CC2)cc1Cl.
What is the InChIKey of (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine?
The InChIKey is FILVEZSPIALKJZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c23-21-9-8-20(17-22(21)24)27-19-10-14-26(15-11-19)16-13-25-12-4-7-18-5-2-1-3-6-18/h1-9,17,19,25H,10-16H2/b7-4+.
What are the key properties of (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine?
(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine has a molecular weight of 405.37 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 141026984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).