4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C14H23NO2 — CID 114247644

IUPAC4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CC4CCCCO4)C1C3C2
InChIInChI=1S/C14H23NO2/c16-14-9-5-10-7-15(13(14)12(10)6-9)8-11-3-1-2-4-17-11/h9-14,16H,1-8H2
InChIKeyZATIRZVVPFDQRQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.26
Rot. Bonds2

About 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247644) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247644
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CC4CCCCO4)C1C3C2
InChIInChI=1S/C14H23NO2/c16-14-9-5-10-7-15(13(14)12(10)6-9)8-11-3-1-2-4-17-11/h9-14,16H,1-8H2
InChIKeyZATIRZVVPFDQRQ-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247644) is 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CN(CC4CCCCO4)C1C3C2.
What is the InChIKey of 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is ZATIRZVVPFDQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14-9-5-10-7-15(13(14)12(10)6-9)8-11-3-1-2-4-17-11/h9-14,16H,1-8H2.
What are the key properties of 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).