4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile

C13H17N3O — CID 62925745

IUPAC4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCCC2CCCCN2)ccn1
InChIInChI=1S/C13H17N3O/c14-10-12-9-13(4-7-16-12)17-8-5-11-3-1-2-6-15-11/h4,7,9,11,15H,1-3,5-6,8H2
InChIKeyWAEUYMKVONHLRJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds4

About 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile

4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile (PubChem CID 62925745) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
PubChem CID62925745
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OCCC2CCCCN2)ccn1
InChIInChI=1S/C13H17N3O/c14-10-12-9-13(4-7-16-12)17-8-5-11-3-1-2-6-15-11/h4,7,9,11,15H,1-3,5-6,8H2
InChIKeyWAEUYMKVONHLRJ-UHFFFAOYSA-N
XLogP1.86
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
4-cyclobutyloxypyridine-2-carbonitrile
CID 62937286
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
3-fluoro-4-(2-piperidin-2-ylethoxy)benzonitrile
CID 62349113

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile (CID 62925745) is 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile is N#Cc1cc(OCCC2CCCCN2)ccn1.
What is the InChIKey of 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile?
The InChIKey is WAEUYMKVONHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-12-9-13(4-7-16-12)17-8-5-11-3-1-2-6-15-11/h4,7,9,11,15H,1-3,5-6,8H2.
What are the key properties of 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile?
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 62925745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).