(3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C20H23Cl2N3O — CID 10739241

IUPAC(3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H23Cl2N3O/c1-14-3-2-4-17(24-14)13-23-12-15-7-9-25(10-8-15)20(26)16-5-6-18(21)19(22)11-16/h2-6,11,15,23H,7-10,12-13H2,1H3
InChIKeySOZWYQGGNLGLTJ-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.34
Rot. Bonds5

About (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10739241) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10739241
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name(3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H23Cl2N3O/c1-14-3-2-4-17(24-14)13-23-12-15-7-9-25(10-8-15)20(26)16-5-6-18(21)19(22)11-16/h2-6,11,15,23H,7-10,12-13H2,1H3
InChIKeySOZWYQGGNLGLTJ-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10739241) is (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is Cc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is SOZWYQGGNLGLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14-3-2-4-17(24-14)13-23-12-15-7-9-25(10-8-15)20(26)16-5-6-18(21)19(22)11-16/h2-6,11,15,23H,7-10,12-13H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 392.33 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10739241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).