(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol

C11H16N2O2 — CID 75367760

IUPAC(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
SMILESO[C@H]1COCCN(Cc2ccccn2)C1
InChIInChI=1S/C11H16N2O2/c14-11-8-13(5-6-15-9-11)7-10-3-1-2-4-12-10/h1-4,11,14H,5-9H2/t11-/m1/s1
InChIKeyYGPTXZJYNHJWTN-LLVKDONJSA-N
MW208.26 g/mol
LogP0.27
Rot. Bonds2

About (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol

(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol (PubChem CID 75367760) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
PubChem CID75367760
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
SMILESO[C@H]1COCCN(Cc2ccccn2)C1
InChIInChI=1S/C11H16N2O2/c14-11-8-13(5-6-15-9-11)7-10-3-1-2-4-12-10/h1-4,11,14H,5-9H2/t11-/m1/s1
InChIKeyYGPTXZJYNHJWTN-LLVKDONJSA-N
XLogP0.27
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-(3-methylbutoxy)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 75367807
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
6-[(3-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 155983978
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125014235
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
4-(pyridin-2-ylmethyl)morpholine-2-carboximidamide
CID 79676156
CID 59694740
CID 59694740
[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 97362548

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol?
The IUPAC name of (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol (CID 75367760) is (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol.
What is the SMILES notation for (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol?
The canonical SMILES for (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol is O[C@H]1COCCN(Cc2ccccn2)C1.
What is the InChIKey of (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol?
The InChIKey is YGPTXZJYNHJWTN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-8-13(5-6-15-9-11)7-10-3-1-2-4-12-10/h1-4,11,14H,5-9H2/t11-/m1/s1.
What are the key properties of (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol?
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol has a molecular weight of 208.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol is sourced from PubChem (CID 75367760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).