(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine

C23H30ClN3O — CID 168679082

About (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine (PubChem CID 168679082) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine.

Molecular Properties

• Compound Name: (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine
• PubChem CID: 168679082
• Molecular Formula: C23H30ClN3O
• Molecular Weight: 399.97 g/mol
• Exact Mass: 399.21
• IUPAC Name: (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine
• SMILES: Cc1cccc(N2CCC(N3C[C@H](C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1
• InChI: InChI=1S/C23H30ClN3O/c1-17-4-3-5-23(25-17)26-12-10-21(11-13-26)27-15-18(2)28-16-22(27)14-19-6-8-20(24)9-7-19/h3-9,18,21-22H,10-16H2,1-2H3/t18-,22-/m0/s1
• InChIKey: JMEUFCCNVJGDSS-AVRDEDQJSA-N
• XLogP: 4.34
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.97
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine?

The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine (CID 168679082) is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine.

What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine?

The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine is Cc1cccc(N2CCC(N3C[C@H](C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)n1.

What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine?

The InChIKey is JMEUFCCNVJGDSS-AVRDEDQJSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-17-4-3-5-23(25-17)26-12-10-21(11-13-26)27-15-18(2)28-16-22(27)14-19-6-8-20(24)9-7-19/h3-9,18,21-22H,10-16H2,1-2H3/t18-,22-/m0/s1.

What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine?

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine has a molecular weight of 399.97 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 168679082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).