4-(1-methylpiperidin-4-yl)oxybenzonitrile

C13H16N2O — CID 11458595

IUPAC4-(1-methylpiperidin-4-yl)oxybenzonitrile
SMILESCN1CCC(Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C13H16N2O/c1-15-8-6-13(7-9-15)16-12-4-2-11(10-14)3-5-12/h2-5,13H,6-9H2,1H3
InChIKeyWJSCWKSMRWKRDF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.03
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)oxybenzonitrile

4-(1-methylpiperidin-4-yl)oxybenzonitrile (PubChem CID 11458595) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxybenzonitrile
PubChem CID11458595
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(1-methylpiperidin-4-yl)oxybenzonitrile
SMILESCN1CCC(Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C13H16N2O/c1-15-8-6-13(7-9-15)16-12-4-2-11(10-14)3-5-12/h2-5,13H,6-9H2,1H3
InChIKeyWJSCWKSMRWKRDF-UHFFFAOYSA-N
XLogP2.03
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-methylpiperidin-4-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 79580
4-[[1-[(E)-3-(123I)iodoprop-2-enyl]piperidin-4-yl]methoxy](123I)benzonitrile
CID 5461916
Ucl-2138
CID 2994072
4-((1-(3-(Fluoro-18F)propyl)-4-piperidinyl)methoxy)benzonitrile
CID 6918656
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-benzonitrile
CID 9864749
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
N-ethyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethanamine
CID 9944320
N,N,N'-trimethyl-N'-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethane-1,2-diamine
CID 10131721
N,N-dimethyl-3-phenoxy-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 16747689

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxybenzonitrile (CID 11458595) is 4-(1-methylpiperidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxybenzonitrile is CN1CCC(Oc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxybenzonitrile?
The InChIKey is WJSCWKSMRWKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-8-6-13(7-9-15)16-12-4-2-11(10-14)3-5-12/h2-5,13H,6-9H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)oxybenzonitrile?
4-(1-methylpiperidin-4-yl)oxybenzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 11458595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).