(3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol

C19H32N2O4 — CID 155491551

About (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol

(3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol (PubChem CID 155491551) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol.

Molecular Properties

• Compound Name: (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol
• PubChem CID: 155491551
• Molecular Formula: C19H32N2O4
• Molecular Weight: 352.48 g/mol
• Exact Mass: 352.24
• IUPAC Name: (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol
• SMILES: COCCC[C@@]1(CO)CN(Cc2ncc(C)c(OC)c2C)CC[C@H]1O
• InChI: InChI=1S/C19H32N2O4/c1-14-10-20-16(15(2)18(14)25-4)11-21-8-6-17(23)19(12-21,13-22)7-5-9-24-3/h10,17,22-23H,5-9,11-13H2,1-4H3/t17-,19+/m1/s1
• InChIKey: WPHILAKVIYOPRH-MJGOQNOKSA-N
• XLogP: 1.68
• TPSA: 75.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.48
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol?

The IUPAC name of (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol (CID 155491551) is (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol.

What is the SMILES notation for (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol?

The canonical SMILES for (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol is COCCC[C@@]1(CO)CN(Cc2ncc(C)c(OC)c2C)CC[C@H]1O.

What is the InChIKey of (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol?

The InChIKey is WPHILAKVIYOPRH-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-14-10-20-16(15(2)18(14)25-4)11-21-8-6-17(23)19(12-21,13-22)7-5-9-24-3/h10,17,22-23H,5-9,11-13H2,1-4H3/t17-,19+/m1/s1.

What are the key properties of (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol?

(3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol has a molecular weight of 352.48 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-(hydroxymethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-methoxypropyl)piperidin-4-ol is sourced from PubChem (CID 155491551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).