| CAS Number | 955315-07-8 |
| Catalog Number | AG00H90T(AGN-PC-01A9CH) |
| Chemical Name | 4-(Piperidin-3-ylmethyl)phenol |
| IUPAC Name | 4-(piperidin-3-ylmethyl)phenol |
| InChI | InChI=1S/C12H17NO/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11/h3-6,11,13-14H,1-2,7-9H2 |
| InChI Key | VJHMLHKDZVTNDZ-UHFFFAOYSA-N |
| MDL Number | MFCD05863604 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | OC1=CC=C(CC2CNCCC2)C=C1 |
| Synonyms | 4-Piperidin-3-ylmethyl-phenol,
955315-07-8,
4-(piperidin-3-ylmethyl)phenol,
4-piperidin-3-ylmethylphenol,
SCHEMBL9748441,
CTK5H7821,
DTXSID10588809,
4-[(Piperidin-3-yl)methyl]phenol,
MFCD05863604,
AKOS006283485,
AB22614,
RT-009854,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number