1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol

C25H40N2O2 — CID 142475115

IUPAC1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C25H40N2O2/c1-20(2)18-23(26-12-10-25(5,28)11-13-26)19-24(3,4)21-6-8-22(9-7-21)27-14-16-29-17-15-27/h6-9,18,23,28H,10-17,19H2,1-5H3
InChIKeyYGJJHQFXNBPFND-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.37
Rot. Bonds6

About 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol

1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol (PubChem CID 142475115) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol
PubChem CID142475115
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC Name1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol
SMILESCC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(C)(O)CC1
InChIInChI=1S/C25H40N2O2/c1-20(2)18-23(26-12-10-25(5,28)11-13-26)19-24(3,4)21-6-8-22(9-7-21)27-14-16-29-17-15-27/h6-9,18,23,28H,10-17,19H2,1-5H3
InChIKeyYGJJHQFXNBPFND-UHFFFAOYSA-N
XLogP4.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol (CID 142475115) is 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol is CC(C)=CC(CC(C)(C)c1ccc(N2CCOCC2)cc1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is YGJJHQFXNBPFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-20(2)18-23(26-12-10-25(5,28)11-13-26)19-24(3,4)21-6-8-22(9-7-21)27-14-16-29-17-15-27/h6-9,18,23,28H,10-17,19H2,1-5H3.
What are the key properties of 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol?
1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 400.61 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-6-(4-morpholin-4-ylphenyl)hept-2-en-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 142475115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).