6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol

C22H35NO2 — CID 70841930

IUPAC6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
SMILESCOCC1C=C(C)C(CC2CC=C(O)C(C3CCCCC3)N2)=C(C)C1
InChIInChI=1S/C22H35NO2/c1-15-11-17(14-25-3)12-16(2)20(15)13-19-9-10-21(24)22(23-19)18-7-5-4-6-8-18/h10-11,17-19,22-24H,4-9,12-14H2,1-3H3
InChIKeyOSGPYUGDTOHNBK-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.06
Rot. Bonds5

About 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol

6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol (PubChem CID 70841930) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol.

Molecular Properties

Compound Name6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
PubChem CID70841930
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol
SMILESCOCC1C=C(C)C(CC2CC=C(O)C(C3CCCCC3)N2)=C(C)C1
InChIInChI=1S/C22H35NO2/c1-15-11-17(14-25-3)12-16(2)20(15)13-19-9-10-21(24)22(23-19)18-7-5-4-6-8-18/h10-11,17-19,22-24H,4-9,12-14H2,1-3H3
InChIKeyOSGPYUGDTOHNBK-UHFFFAOYSA-N
XLogP5.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
The IUPAC name of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol (CID 70841930) is 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol.
What is the SMILES notation for 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
The canonical SMILES for 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol is COCC1C=C(C)C(CC2CC=C(O)C(C3CCCCC3)N2)=C(C)C1.
What is the InChIKey of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
The InChIKey is OSGPYUGDTOHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-15-11-17(14-25-3)12-16(2)20(15)13-19-9-10-21(24)22(23-19)18-7-5-4-6-8-18/h10-11,17-19,22-24H,4-9,12-14H2,1-3H3.
What are the key properties of 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol?
6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol has a molecular weight of 345.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[[4-(methoxymethyl)-2,6-dimethylcyclohexa-1,5-dien-1-yl]methyl]-1,2,3,6-tetrahydropyridin-5-ol is sourced from PubChem (CID 70841930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).