3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile

C15H18N2O — CID 116988102

IUPAC3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile
SMILESN#CC1(c2ccc(C3CCNCC3)cc2)COC1
InChIInChI=1S/C15H18N2O/c16-9-15(10-18-11-15)14-3-1-12(2-4-14)13-5-7-17-8-6-13/h1-4,13,17H,5-8,10-11H2
InChIKeyJOWVCGWYOMLBMX-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.95
Rot. Bonds2

About 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile

3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile (PubChem CID 116988102) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile
PubChem CID116988102
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile
SMILESN#CC1(c2ccc(C3CCNCC3)cc2)COC1
InChIInChI=1S/C15H18N2O/c16-9-15(10-18-11-15)14-3-1-12(2-4-14)13-5-7-17-8-6-13/h1-4,13,17H,5-8,10-11H2
InChIKeyJOWVCGWYOMLBMX-UHFFFAOYSA-N
XLogP1.95
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-pyrrolidin-3-ylphenyl)oxetane-3-carbonitrile
CID 116988496
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
CID 117047053
2-(4-piperidin-4-ylphenyl)acetonitrile;hydrochloride
CID 121398834
4-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]piperidine
CID 117274189
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
potassium 4-piperidin-4-ylphenolate
CID 143791971
3-(4-propan-2-ylsulfanylphenyl)oxetane-3-carbonitrile
CID 116873187
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
ethane;4-(4-methylphenyl)piperidine
CID 145467036

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile (CID 116988102) is 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile is N#CC1(c2ccc(C3CCNCC3)cc2)COC1.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile?
The InChIKey is JOWVCGWYOMLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-9-15(10-18-11-15)14-3-1-12(2-4-14)13-5-7-17-8-6-13/h1-4,13,17H,5-8,10-11H2.
What are the key properties of 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile?
3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile is sourced from PubChem (CID 116988102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).