6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C14H19NO — CID 105471652

IUPAC6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(CN1CCC1)C2
InChIInChI=1S/C14H19NO/c16-14-5-4-12-8-11(2-3-13(12)9-14)10-15-6-1-7-15/h4-5,9,11,16H,1-3,6-8,10H2
InChIKeyAQIJBOKXAZTKOI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.20
Rot. Bonds2

About 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol

6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 105471652) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID105471652
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCC(CN1CCC1)C2
InChIInChI=1S/C14H19NO/c16-14-5-4-12-8-11(2-3-13(12)9-14)10-15-6-1-7-15/h4-5,9,11,16H,1-3,6-8,10H2
InChIKeyAQIJBOKXAZTKOI-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 105471652) is 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCC(CN1CCC1)C2.
What is the InChIKey of 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AQIJBOKXAZTKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-5-4-12-8-11(2-3-13(12)9-14)10-15-6-1-7-15/h4-5,9,11,16H,1-3,6-8,10H2.
What are the key properties of 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 105471652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).