4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine

C28H40N2O2 — CID 66994228

IUPAC4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine
SMILESCCOc1cc(-c2c(CC)cccc2CC)ncc1C(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C28H40N2O2/c1-4-21-13-10-14-22(5-2)27(21)25-19-26(32-6-3)24(20-29-25)28(23-11-8-7-9-12-23)30-15-17-31-18-16-30/h10,13-14,19-20,23,28H,4-9,11-12,15-18H2,1-3H3
InChIKeyFJWUQNLGKBVOTA-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.23
Rot. Bonds8

About 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine

4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine (PubChem CID 66994228) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine
PubChem CID66994228
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine
SMILESCCOc1cc(-c2c(CC)cccc2CC)ncc1C(C1CCCCC1)N1CCOCC1
InChIInChI=1S/C28H40N2O2/c1-4-21-13-10-14-22(5-2)27(21)25-19-26(32-6-3)24(20-29-25)28(23-11-8-7-9-12-23)30-15-17-31-18-16-30/h10,13-14,19-20,23,28H,4-9,11-12,15-18H2,1-3H3
InChIKeyFJWUQNLGKBVOTA-UHFFFAOYSA-N
XLogP6.23
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine (CID 66994228) is 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine is CCOc1cc(-c2c(CC)cccc2CC)ncc1C(C1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine?
The InChIKey is FJWUQNLGKBVOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-4-21-13-10-14-22(5-2)27(21)25-19-26(32-6-3)24(20-29-25)28(23-11-8-7-9-12-23)30-15-17-31-18-16-30/h10,13-14,19-20,23,28H,4-9,11-12,15-18H2,1-3H3.
What are the key properties of 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine?
4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine has a molecular weight of 436.64 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl-[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 66994228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).