[4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol

C11H16N2O2 — CID 62973119

IUPAC[4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol
SMILESOCc1cc(N2CCCOCC2)ccn1
InChIInChI=1S/C11H16N2O2/c14-9-10-8-11(2-3-12-10)13-4-1-6-15-7-5-13/h2-3,8,14H,1,4-7,9H2
InChIKeyXJUMYVZOYQNXJD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.80
Rot. Bonds2

About [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol

[4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol (PubChem CID 62973119) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol
PubChem CID62973119
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol
SMILESOCc1cc(N2CCCOCC2)ccn1
InChIInChI=1S/C11H16N2O2/c14-9-10-8-11(2-3-12-10)13-4-1-6-15-7-5-13/h2-3,8,14H,1,4-7,9H2
InChIKeyXJUMYVZOYQNXJD-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyrrolidin-1-yl-2-pyridinyl)methanol
CID 61253003
[4-[2-(hydroxymethyl)-4-pyridinyl]morpholin-2-yl]methanol
CID 81218721
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol
CID 91349060
[4-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
CID 114412365
[4-(4-methoxypiperidin-1-yl)-2-pyridinyl]methanol
CID 61257075
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol
CID 66369773
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methanol
CID 61255838
[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]methanamine
CID 177019277
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol?
The IUPAC name of [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol (CID 62973119) is [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol is OCc1cc(N2CCCOCC2)ccn1.
What is the InChIKey of [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol?
The InChIKey is XJUMYVZOYQNXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-9-10-8-11(2-3-12-10)13-4-1-6-15-7-5-13/h2-3,8,14H,1,4-7,9H2.
What are the key properties of [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol?
[4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol has a molecular weight of 208.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-oxazepan-4-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 62973119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).