1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol

C19H37NO2 — CID 3394883

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CC(OCC(O)CN2C(C)CCCC2C)CC(C)(C)C1
InChIInChI=1S/C19H37NO2/c1-14-9-18(11-19(4,5)10-14)22-13-17(21)12-20-15(2)7-6-8-16(20)3/h14-18,21H,6-13H2,1-5H3
InChIKeyFWSHCMODWGVIGW-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.84
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol

1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol (PubChem CID 3394883) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
PubChem CID3394883
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CC(OCC(O)CN2C(C)CCCC2C)CC(C)(C)C1
InChIInChI=1S/C19H37NO2/c1-14-9-18(11-19(4,5)10-14)22-13-17(21)12-20-15(2)7-6-8-16(20)3/h14-18,21H,6-13H2,1-5H3
InChIKeyFWSHCMODWGVIGW-UHFFFAOYSA-N
XLogP3.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.84
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-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol (CID 3394883) is 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol is CC1CC(OCC(O)CN2C(C)CCCC2C)CC(C)(C)C1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The InChIKey is FWSHCMODWGVIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-14-9-18(11-19(4,5)10-14)22-13-17(21)12-20-15(2)7-6-8-16(20)3/h14-18,21H,6-13H2,1-5H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
1-(2,6-dimethylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol has a molecular weight of 311.51 g/mol, XLogP of 3.84, 5 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-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 3394883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).