4-(piperidin-4-ylmethoxy)benzonitrile

C13H16N2O — CID 10560682

IUPAC4-(piperidin-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C13H16N2O/c14-9-11-1-3-13(4-2-11)16-10-12-5-7-15-8-6-12/h1-4,12,15H,5-8,10H2
InChIKeyJVEKHERZQAFTTI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.94
Rot. Bonds3

About 4-(piperidin-4-ylmethoxy)benzonitrile

4-(piperidin-4-ylmethoxy)benzonitrile (PubChem CID 10560682) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxy)benzonitrile
PubChem CID10560682
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(piperidin-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C13H16N2O/c14-9-11-1-3-13(4-2-11)16-10-12-5-7-15-8-6-12/h1-4,12,15H,5-8,10H2
InChIKeyJVEKHERZQAFTTI-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
2-bromo-5-(piperidin-4-ylmethoxy)benzonitrile
CID 90018451
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile
CID 126695840
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
CID 170861083

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethoxy)benzonitrile?
The IUPAC name of 4-(piperidin-4-ylmethoxy)benzonitrile (CID 10560682) is 4-(piperidin-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 4-(piperidin-4-ylmethoxy)benzonitrile?
The canonical SMILES for 4-(piperidin-4-ylmethoxy)benzonitrile is N#Cc1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of 4-(piperidin-4-ylmethoxy)benzonitrile?
The InChIKey is JVEKHERZQAFTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-11-1-3-13(4-2-11)16-10-12-5-7-15-8-6-12/h1-4,12,15H,5-8,10H2.
What are the key properties of 4-(piperidin-4-ylmethoxy)benzonitrile?
4-(piperidin-4-ylmethoxy)benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 10560682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).