2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine

C23H33N3O3 — CID 153376693

IUPAC2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine
SMILESCOc1ccc(C(C)N2CCC(Oc3cc(C)nc(C(C)C)c3)CC2)nc1OC
InChIInChI=1S/C23H33N3O3/c1-15(2)21-14-19(13-16(3)24-21)29-18-9-11-26(12-10-18)17(4)20-7-8-22(27-5)23(25-20)28-6/h7-8,13-15,17-18H,9-12H2,1-6H3
InChIKeyCMQXKOTVHYNDIZ-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.53
Rot. Bonds7

About 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine

2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine (PubChem CID 153376693) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine
PubChem CID153376693
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine
SMILESCOc1ccc(C(C)N2CCC(Oc3cc(C)nc(C(C)C)c3)CC2)nc1OC
InChIInChI=1S/C23H33N3O3/c1-15(2)21-14-19(13-16(3)24-21)29-18-9-11-26(12-10-18)17(4)20-7-8-22(27-5)23(25-20)28-6/h7-8,13-15,17-18H,9-12H2,1-6H3
InChIKeyCMQXKOTVHYNDIZ-UHFFFAOYSA-N
XLogP4.53
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine?
The IUPAC name of 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine (CID 153376693) is 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine?
The canonical SMILES for 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine is COc1ccc(C(C)N2CCC(Oc3cc(C)nc(C(C)C)c3)CC2)nc1OC.
What is the InChIKey of 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine?
The InChIKey is CMQXKOTVHYNDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15(2)21-14-19(13-16(3)24-21)29-18-9-11-26(12-10-18)17(4)20-7-8-22(27-5)23(25-20)28-6/h7-8,13-15,17-18H,9-12H2,1-6H3.
What are the key properties of 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine?
2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine has a molecular weight of 399.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 153376693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).