[4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol

C11H20N2O2 — CID 106297711

IUPAC[4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCCC2)CCOCC1
InChIInChI=1S/C11H20N2O2/c14-9-11(4-7-15-8-5-11)13-10-3-1-2-6-12-10/h14H,1-9H2,(H,12,13)
InChIKeyLMIQPDGKNPFQBV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds2

About [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol

[4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol (PubChem CID 106297711) 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)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
PubChem CID106297711
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCCC2)CCOCC1
InChIInChI=1S/C11H20N2O2/c14-9-11(4-7-15-8-5-11)13-10-3-1-2-6-12-10/h14H,1-9H2,(H,12,13)
InChIKeyLMIQPDGKNPFQBV-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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Related Compounds

3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
CID 123238034
2-Ethyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79508054
3-Methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
CID 106175334
[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
CID 106297496
[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol
CID 106297904
N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
CID 106299256
N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
CID 114170298
N-(4-methyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
CID 116231397

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol (CID 106297711) is [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol is OCC1(NC2=NCCCC2)CCOCC1.
What is the InChIKey of [4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol?
The InChIKey is LMIQPDGKNPFQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-9-11(4-7-15-8-5-11)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)oxan-4-yl]methanol?
[4-(2,3,4,5-tetrahydropyridin-6-ylamino)oxan-4-yl]methanol 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)oxan-4-yl]methanol is sourced from PubChem (CID 106297711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).