1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

C20H39NO2 — CID 2882279

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)COC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39NO2/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5/h15-19,22H,6-14H2,1-5H3
InChIKeyWPYJHCPYGNYTGC-UHFFFAOYSA-N
MW325.54 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 2882279) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID2882279
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)COC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39NO2/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5/h15-19,22H,6-14H2,1-5H3
InChIKeyWPYJHCPYGNYTGC-UHFFFAOYSA-N
XLogP4.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (CID 2882279) is 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is CC1CCCC(C)N1CC(O)COC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is WPYJHCPYGNYTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-15-7-6-8-16(2)21(15)13-18(22)14-23-19-11-9-17(10-12-19)20(3,4)5/h15-19,22H,6-14H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 325.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 2882279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).