4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol

C11H20N2O2 — CID 81130703

IUPAC4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2=NCCCC2)CCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(4-7-15-8-5-11)9-13-10-3-1-2-6-12-10/h14H,1-9H2,(H,12,13)
InChIKeyTWBRIIPALVYZNB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds2

About 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol

4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol (PubChem CID 81130703) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol
PubChem CID81130703
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2=NCCCC2)CCOCC1
InChIInChI=1S/C11H20N2O2/c14-11(4-7-15-8-5-11)9-13-10-3-1-2-6-12-10/h14H,1-9H2,(H,12,13)
InChIKeyTWBRIIPALVYZNB-UHFFFAOYSA-N
XLogP0.70
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol (CID 81130703) is 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol is OC1(CNC2=NCCCC2)CCOCC1.
What is the InChIKey of 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol?
The InChIKey is TWBRIIPALVYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(4-7-15-8-5-11)9-13-10-3-1-2-6-12-10/h14H,1-9H2,(H,12,13).
What are the key properties of 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol?
4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol has a molecular weight of 212.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).