N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

C36H34F2N4O — CID 18174140

IUPACN,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3ccccc3F)c2)C2CCN(Cc3ccnc(-c4ccccc4F)c3)CC2)cc1
InChIInChI=1S/C36H34F2N4O/c1-43-30-12-10-28(11-13-30)42(25-27-15-19-40-36(23-27)32-7-3-5-9-34(32)38)29-16-20-41(21-17-29)24-26-14-18-39-35(22-26)31-6-2-4-8-33(31)37/h2-15,18-19,22-23,29H,16-17,20-21,24-25H2,1H3
InChIKeyVKZAGPROEZSIPJ-UHFFFAOYSA-N
MW576.69 g/mol
LogP7.77
Rot. Bonds9

About N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine

N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 18174140) has the molecular formula C36H34F2N4O and a molecular weight of 576.69 g/mol. Its IUPAC name is N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
PubChem CID18174140
Molecular FormulaC36H34F2N4O
Molecular Weight576.69 g/mol
Exact Mass576.27
IUPAC NameN,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3ccccc3F)c2)C2CCN(Cc3ccnc(-c4ccccc4F)c3)CC2)cc1
InChIInChI=1S/C36H34F2N4O/c1-43-30-12-10-28(11-13-30)42(25-27-15-19-40-36(23-27)32-7-3-5-9-34(32)38)29-16-20-41(21-17-29)24-26-14-18-39-35(22-26)31-6-2-4-8-33(31)37/h2-15,18-19,22-23,29H,16-17,20-21,24-25H2,1H3
InChIKeyVKZAGPROEZSIPJ-UHFFFAOYSA-N
XLogP7.77
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.69
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-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,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (CID 18174140) is N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is COc1ccc(N(Cc2ccnc(-c3ccccc3F)c2)C2CCN(Cc3ccnc(-c4ccccc4F)c3)CC2)cc1.
What is the InChIKey of N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The InChIKey is VKZAGPROEZSIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N4O/c1-43-30-12-10-28(11-13-30)42(25-27-15-19-40-36(23-27)32-7-3-5-9-34(32)38)29-16-20-41(21-17-29)24-26-14-18-39-35(22-26)31-6-2-4-8-33(31)37/h2-15,18-19,22-23,29H,16-17,20-21,24-25H2,1H3.
What are the key properties of N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 576.69 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[[2-(2-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 18174140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).