4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol

C12H22N2O2 — CID 66393084

IUPAC4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CC3CCC(C2)O3)CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(3-5-13-6-4-12)9-14-7-10-1-2-11(8-14)16-10/h10-11,13,15H,1-9H2
InChIKeyJGFOHFHWIMFYEX-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.04
Rot. Bonds2

About 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol

4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol (PubChem CID 66393084) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol
PubChem CID66393084
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol
SMILESOC1(CN2CC3CCC(C2)O3)CCNCC1
InChIInChI=1S/C12H22N2O2/c15-12(3-5-13-6-4-12)9-14-7-10-1-2-11(8-14)16-10/h10-11,13,15H,1-9H2
InChIKeyJGFOHFHWIMFYEX-UHFFFAOYSA-N
XLogP-0.04
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol (CID 66393084) is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol is OC1(CN2CC3CCC(C2)O3)CCNCC1.
What is the InChIKey of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol?
The InChIKey is JGFOHFHWIMFYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(3-5-13-6-4-12)9-14-7-10-1-2-11(8-14)16-10/h10-11,13,15H,1-9H2.
What are the key properties of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol?
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol has a molecular weight of 226.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 66393084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).