| CAS Number | 1154252-59-1 |
| Catalog Number | AG01AADE |
| Chemical Name | [1-(3-Aminobenzoyl)piperidin-3-yl]methanol |
| IUPAC Name | (3-aminophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone |
| InChI | InChI=1S/C13H18N2O2/c14-12-5-1-4-11(7-12)13(17)15-6-2-3-10(8-15)9-16/h1,4-5,7,10,16H,2-3,6,8-9,14H2 |
| InChI Key | CIFLJOJPDJTRBY-UHFFFAOYSA-N |
| MDL Number | MFCD12079279 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | NC1=CC(C(N2CC(CO)CCC2)=O)=CC=C1 |
| Synonyms | [1-(3-aminobenzoyl)piperidin-3-yl]methanol,
1154252-59-1,
{1-[(3-aminophenyl)carbonyl]piperidin-3-yl}methanol,
AC1Q51EG,
AKOS009608687,
MCULE-1528661883,
NE37396,
EN300-68279,
Z1263602404,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number