5-(1,4-diazepan-1-yl)pyridin-3-ol

C10H15N3O — CID 10559695

IUPAC5-(1,4-diazepan-1-yl)pyridin-3-ol
SMILESOc1cncc(N2CCCNCC2)c1
InChIInChI=1S/C10H15N3O/c14-10-6-9(7-12-8-10)13-4-1-2-11-3-5-13/h6-8,11,14H,1-5H2
InChIKeyMJRZXRNJFQLHHY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.59
Rot. Bonds1

About 5-(1,4-diazepan-1-yl)pyridin-3-ol

5-(1,4-diazepan-1-yl)pyridin-3-ol (PubChem CID 10559695) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(1,4-diazepan-1-yl)pyridin-3-ol
PubChem CID10559695
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(1,4-diazepan-1-yl)pyridin-3-ol
SMILESOc1cncc(N2CCCNCC2)c1
InChIInChI=1S/C10H15N3O/c14-10-6-9(7-12-8-10)13-4-1-2-11-3-5-13/h6-8,11,14H,1-5H2
InChIKeyMJRZXRNJFQLHHY-UHFFFAOYSA-N
XLogP0.59
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyrrolidin-1-ylpyridin-3-ol
CID 66521166
5-piperidin-1-ylpyridin-3-ol
CID 66521117
(E)-but-2-enedioic acid;1-(5-chloro-3-pyridinyl)-1,4-diazepane
CID 131725809
5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol;hydrochloride
CID 11573964
3-bromo-5-pyrrolidin-1-ylpyridine;3,5-dibromopyridine;pyrrolidine
CID 160523140
N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine
CID 22053459
1-(5-ethenyl-3-pyridinyl)piperazine
CID 150234199
(E)-but-2-enedioic acid;1-(5-chloro-3-pyridinyl)piperazine
CID 160798960
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridin-3-ol;hydrochloride
CID 56663664
1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]-1,4-diazepane
CID 103036448

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-yl)pyridin-3-ol?
The IUPAC name of 5-(1,4-diazepan-1-yl)pyridin-3-ol (CID 10559695) is 5-(1,4-diazepan-1-yl)pyridin-3-ol.
What is the SMILES notation for 5-(1,4-diazepan-1-yl)pyridin-3-ol?
The canonical SMILES for 5-(1,4-diazepan-1-yl)pyridin-3-ol is Oc1cncc(N2CCCNCC2)c1.
What is the InChIKey of 5-(1,4-diazepan-1-yl)pyridin-3-ol?
The InChIKey is MJRZXRNJFQLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-6-9(7-12-8-10)13-4-1-2-11-3-5-13/h6-8,11,14H,1-5H2.
What are the key properties of 5-(1,4-diazepan-1-yl)pyridin-3-ol?
5-(1,4-diazepan-1-yl)pyridin-3-ol has a molecular weight of 193.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-yl)pyridin-3-ol is sourced from PubChem (CID 10559695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).