1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

C20H39NO2 — CID 2870295

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN2C(C)CCCC2C)C1
InChIInChI=1S/C20H39NO2/c1-14(2)19-10-9-15(3)11-20(19)23-13-18(22)12-21-16(4)7-6-8-17(21)5/h14-20,22H,6-13H2,1-5H3
InChIKeyYZZLWRCPCIMEHR-UHFFFAOYSA-N
MW325.54 g/mol
LogP4.09
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (PubChem CID 2870295) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
PubChem CID2870295
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(C(C)C)C(OCC(O)CN2C(C)CCCC2C)C1
InChIInChI=1S/C20H39NO2/c1-14(2)19-10-9-15(3)11-20(19)23-13-18(22)12-21-16(4)7-6-8-17(21)5/h14-20,22H,6-13H2,1-5H3
InChIKeyYZZLWRCPCIMEHR-UHFFFAOYSA-N
XLogP4.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol (CID 2870295) is 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is CC1CCC(C(C)C)C(OCC(O)CN2C(C)CCCC2C)C1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
The InChIKey is YZZLWRCPCIMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-14(2)19-10-9-15(3)11-20(19)23-13-18(22)12-21-16(4)7-6-8-17(21)5/h14-20,22H,6-13H2,1-5H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol?
1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol has a molecular weight of 325.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 2870295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).