| CAS Number | 902836-93-5 |
| Catalog Number | AG003I2K |
| Chemical Name | 3-(Piperidin-3-yloxy)benzonitrile |
| IUPAC Name | 3-piperidin-3-yloxybenzonitrile |
| InChI | InChI=1S/C12H14N2O/c13-8-10-3-1-4-11(7-10)15-12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,9H2 |
| InChI Key | OSURJDMYHKQISX-UHFFFAOYSA-N |
| MDL Number | MFCD08061079 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | N1CC(CCC1)OC=1C=C(C#N)C=CC1 |
| Synonyms | 902836-93-5,
3-(3-PIPERIDINYLOXY)BENZONITRILE,
MFCD08061079,
3-(piperidin-3-yloxy)benzonitrile,
3-(piperidin-3-yloxy)-benzonitrile,
AC1Q4R41,
SCHEMBL3158663,
CTK7C8583,
DTXSID10624559,
3-(Piperidin-3-Yl-Oxy)Benzonitrile,
3-(3-piperidyloxy)benzenecarbonitrile,
3-[(Piperidin-3-yl)oxy]benzonitrile,
MCULE-3504103997,
3-(3-Piperidinyloxy)benzonitrile, 99%,
RT-008375,
FT-0728656,
ST50407784,
3-(Piperidin-3-yloxy)benzonitrile, AldrichCPR,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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