(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone

C28H38N2O2 — CID 511306

IUPAC(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1
InChIInChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
InChIKeyLKDCAIVJHAMVHC-UHFFFAOYSA-N
MW434.62 g/mol
LogP5.26
Rot. Bonds5

About (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone

(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone (PubChem CID 511306) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
PubChem CID511306
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1
InChIInChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
InChIKeyLKDCAIVJHAMVHC-UHFFFAOYSA-N
XLogP5.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone 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 (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone (CID 511306) is (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone is COc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1.
What is the InChIKey of (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone?
The InChIKey is LKDCAIVJHAMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3.
What are the key properties of (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone?
(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone has a molecular weight of 434.62 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 511306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).