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

C18H25ClN2O2 — CID 3700490

IUPAC(3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC(C)O1
InChIInChI=1S/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)17-6-8-20(9-7-17)18(22)15-4-3-5-16(19)10-15/h3-5,10,13-14,17H,6-9,11-12H2,1-2H3
InChIKeyLOOLKABXCMMKJI-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.05
Rot. Bonds2

About (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone

(3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone (PubChem CID 3700490) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
PubChem CID3700490
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC(C)O1
InChIInChI=1S/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)17-6-8-20(9-7-17)18(22)15-4-3-5-16(19)10-15/h3-5,10,13-14,17H,6-9,11-12H2,1-2H3
InChIKeyLOOLKABXCMMKJI-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 (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone (CID 3700490) is (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone is CC1CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC(C)O1.
What is the InChIKey of (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
The InChIKey is LOOLKABXCMMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-11-21(12-14(2)23-13)17-6-8-20(9-7-17)18(22)15-4-3-5-16(19)10-15/h3-5,10,13-14,17H,6-9,11-12H2,1-2H3.
What are the key properties of (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone?
(3-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 (3-chlorophenyl)-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 3700490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).