2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol

C15H29NO2 — CID 102966062

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
SMILESCOC1CN(C2CCCCCCC2O)CCC1C
InChIInChI=1S/C15H29NO2/c1-12-9-10-16(11-15(12)18-2)13-7-5-3-4-6-8-14(13)17/h12-15,17H,3-11H2,1-2H3
InChIKeyOETPKNPWYFTCGH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds2

About 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol

2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol (PubChem CID 102966062) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
PubChem CID102966062
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
SMILESCOC1CN(C2CCCCCCC2O)CCC1C
InChIInChI=1S/C15H29NO2/c1-12-9-10-16(11-15(12)18-2)13-7-5-3-4-6-8-14(13)17/h12-15,17H,3-11H2,1-2H3
InChIKeyOETPKNPWYFTCGH-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol (CID 102966062) is 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol is COC1CN(C2CCCCCCC2O)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol?
The InChIKey is OETPKNPWYFTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-9-10-16(11-15(12)18-2)13-7-5-3-4-6-8-14(13)17/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol?
2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol is sourced from PubChem (CID 102966062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).