(2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone

C18H25ClN2O2 — CID 660698

IUPAC(2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC(C)O1
InChIInChI=1S/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)15-7-9-20(10-8-15)18(22)16-5-3-4-6-17(16)19/h3-6,13-15H,7-12H2,1-2H3
InChIKeyAWWRKBNPEHEIAK-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.05
Rot. Bonds2

About (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone

(2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone (PubChem CID 660698) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
PubChem CID660698
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC(C)O1
InChIInChI=1S/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)15-7-9-20(10-8-15)18(22)16-5-3-4-6-17(16)19/h3-6,13-15H,7-12H2,1-2H3
InChIKeyAWWRKBNPEHEIAK-UHFFFAOYSA-N
XLogP3.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone (CID 660698) is (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone is CC1CN(C2CCN(C(=O)c3ccccc3Cl)CC2)CC(C)O1.
What is the InChIKey of (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
The InChIKey is AWWRKBNPEHEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)15-7-9-20(10-8-15)18(22)16-5-3-4-6-17(16)19/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone has a molecular weight of 336.86 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 660698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).