1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol

C20H37NO2 — CID 3405228

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
SMILESCC1CC(C)CN(CC(O)COC2C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C20H37NO2/c1-14-8-15(2)11-21(10-14)12-17(22)13-23-18-19(3,4)16-6-7-20(18,5)9-16/h14-18,22H,6-13H2,1-5H3
InChIKeyBGMMDRMBSMZBJT-UHFFFAOYSA-N
MW323.52 g/mol
LogP3.56
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol

1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol (PubChem CID 3405228) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
PubChem CID3405228
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
SMILESCC1CC(C)CN(CC(O)COC2C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C20H37NO2/c1-14-8-15(2)11-21(10-14)12-17(22)13-23-18-19(3,4)16-6-7-20(18,5)9-16/h14-18,22H,6-13H2,1-5H3
InChIKeyBGMMDRMBSMZBJT-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol (CID 3405228) is 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol is CC1CC(C)CN(CC(O)COC2C3(C)CCC(C3)C2(C)C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?
The InChIKey is BGMMDRMBSMZBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-14-8-15(2)11-21(10-14)12-17(22)13-23-18-19(3,4)16-6-7-20(18,5)9-16/h14-18,22H,6-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol?
1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol has a molecular weight of 323.52 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol is sourced from PubChem (CID 3405228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).