[6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone

C20H22Cl2N2O2 — CID 58210549

IUPAC[6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(COc3c(Cl)cccc3Cl)n2)C1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-26-18-15(21)7-4-8-16(18)22/h3-4,6-9H,5,10-13H2,1-2H3
InChIKeySVAAGSNEAMEIKI-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.23
Rot. Bonds4

About [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone

[6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 58210549) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID58210549
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name[6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(COc3c(Cl)cccc3Cl)n2)C1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-26-18-15(21)7-4-8-16(18)22/h3-4,6-9H,5,10-13H2,1-2H3
InChIKeySVAAGSNEAMEIKI-UHFFFAOYSA-N
XLogP5.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone (CID 58210549) is [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone is CC1(C)CCCN(C(=O)c2cccc(COc3c(Cl)cccc3Cl)n2)C1.
What is the InChIKey of [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is SVAAGSNEAMEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-20(2)10-5-11-24(13-20)19(25)17-9-3-6-14(23-17)12-26-18-15(21)7-4-8-16(18)22/h3-4,6-9H,5,10-13H2,1-2H3.
What are the key properties of [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone?
[6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 393.31 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).