| CAS Number | 415952-69-1 |
| Catalog Number | AG01AHFL |
| Chemical Name | {1-[(2,5-Difluorophenyl)methyl]piperidin-3-yl}methanol |
| IUPAC Name | [1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]methanol |
| InChI | InChI=1S/C13H17F2NO/c14-12-3-4-13(15)11(6-12)8-16-5-1-2-10(7-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2 |
| InChI Key | PTWVMZJVTUNJRO-UHFFFAOYSA-N |
| MDL Number | MFCD01452639 |
| Molecular Formula | C13H17F2NO |
| Molecular Weight | 241.2770 |
| SMILES | OCC1CN(CC2=C(F)C=CC(F)=C2)CCC1 |
| Synonyms | {1-[(2,5-difluorophenyl)methyl]piperidin-3-yl}methanol,
415952-69-1,
[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]methanol,
AC1O5D5W,
Oprea1_582361,
AKOS011298432,
MCULE-5473583587,
NE36030,
EN300-74534,
Z1248888879,
CID6456256,
[1-[(2,5-difluorophenyl)methyl]-3-piperidyl]methanol,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.282g/mol |
| Monoisotopic Mass | 241.128g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number