1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C21H32N2O2 — CID 2910784

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(N3CC(C)CC(C)C3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16-4-6-20(7-5-16)25-15-21(24)22-10-8-19(9-11-22)23-13-17(2)12-18(3)14-23/h4-7,17-19H,8-15H2,1-3H3
InChIKeyBXHFODIOHYHFNH-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.34
Rot. Bonds4

About 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 2910784) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID2910784
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(N3CC(C)CC(C)C3)CC2)cc1
InChIInChI=1S/C21H32N2O2/c1-16-4-6-20(7-5-16)25-15-21(24)22-10-8-19(9-11-22)23-13-17(2)12-18(3)14-23/h4-7,17-19H,8-15H2,1-3H3
InChIKeyBXHFODIOHYHFNH-UHFFFAOYSA-N
XLogP3.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 2910784) is 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(N3CC(C)CC(C)C3)CC2)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is BXHFODIOHYHFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-4-6-20(7-5-16)25-15-21(24)22-10-8-19(9-11-22)23-13-17(2)12-18(3)14-23/h4-7,17-19H,8-15H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 344.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 2910784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).