6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C12H15N3O2 — CID 71063615

IUPAC6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(CO)CC2)nc1
InChIInChI=1S/C12H15N3O2/c13-7-10-1-2-12(14-8-10)17-11-3-5-15(9-16)6-4-11/h1-2,8,11,16H,3-6,9H2
InChIKeyMXCVXWOPHXHWPZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.75
Rot. Bonds3

About 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71063615) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71063615
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(CO)CC2)nc1
InChIInChI=1S/C12H15N3O2/c13-7-10-1-2-12(14-8-10)17-11-3-5-15(9-16)6-4-11/h1-2,8,11,16H,3-6,9H2
InChIKeyMXCVXWOPHXHWPZ-UHFFFAOYSA-N
XLogP0.75
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799106
6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799094
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799107
6-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyridine-3-carbonitrile
CID 119099168
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607
6-[1-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]pyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 167743078
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669
6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248602

Frequently Asked Questions

What is the IUPAC name of 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71063615) is 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCN(CO)CC2)nc1.
What is the InChIKey of 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is MXCVXWOPHXHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-7-10-1-2-12(14-8-10)17-11-3-5-15(9-16)6-4-11/h1-2,8,11,16H,3-6,9H2.
What are the key properties of 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71063615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).