3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol

C18H37NO2 — CID 90712238

IUPAC3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol
SMILESCCC(CC)(CC)OCN1CCC(O)C(CC(C)(C)C)C1
InChIInChI=1S/C18H37NO2/c1-7-18(8-2,9-3)21-14-19-11-10-16(20)15(13-19)12-17(4,5)6/h15-16,20H,7-14H2,1-6H3
InChIKeyBGFAWMHRLNRRRI-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.05
Rot. Bonds7

About 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol

3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol (PubChem CID 90712238) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol
PubChem CID90712238
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol
SMILESCCC(CC)(CC)OCN1CCC(O)C(CC(C)(C)C)C1
InChIInChI=1S/C18H37NO2/c1-7-18(8-2,9-3)21-14-19-11-10-16(20)15(13-19)12-17(4,5)6/h15-16,20H,7-14H2,1-6H3
InChIKeyBGFAWMHRLNRRRI-UHFFFAOYSA-N
XLogP4.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol (CID 90712238) is 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol is CCC(CC)(CC)OCN1CCC(O)C(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol?
The InChIKey is BGFAWMHRLNRRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-7-18(8-2,9-3)21-14-19-11-10-16(20)15(13-19)12-17(4,5)6/h15-16,20H,7-14H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol?
3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol has a molecular weight of 299.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-(3-ethylpentan-3-yloxymethyl)piperidin-4-ol is sourced from PubChem (CID 90712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).