[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C18H25ClN2O3 — CID 50977359

IUPAC[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C[C@H](C)O1
InChIInChI=1S/C18H25ClN2O3/c1-13-11-21(12-14(2)23-13)17(22)18(7-9-20-10-8-18)24-16-5-3-15(19)4-6-16/h3-6,13-14,20H,7-12H2,1-2H3/t13-,14+
InChIKeyLPXGNBSAEYLAIW-OKILXGFUSA-N
MW352.86 g/mol
LogP2.48
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 50977359) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID50977359
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C[C@H](C)O1
InChIInChI=1S/C18H25ClN2O3/c1-13-11-21(12-14(2)23-13)17(22)18(7-9-20-10-8-18)24-16-5-3-15(19)4-6-16/h3-6,13-14,20H,7-12H2,1-2H3/t13-,14+
InChIKeyLPXGNBSAEYLAIW-OKILXGFUSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 50977359) is [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C[C@H](C)O1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is LPXGNBSAEYLAIW-OKILXGFUSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-13-11-21(12-14(2)23-13)17(22)18(7-9-20-10-8-18)24-16-5-3-15(19)4-6-16/h3-6,13-14,20H,7-12H2,1-2H3/t13-,14+.
What are the key properties of [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 352.86 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 50977359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).