CAS 84196-16-7

1 2D Structure

CAS 84196-16-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride

2.1.2 InChI

InChI=1S/C16H24N2O2.ClH/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16;/h4-8,17H,3,9-13H2,1-2H3;1H

2.1.3 InChI Key

RVUDUAGGKPDPDM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC.Cl

2.2 Other Identifiers

2.2.1 UNII

D9E7ND24LY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Noralfentanil Hydrochloride

2. 84196-16-7

3. D9e7nd24ly

4. N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropionamide Hydrochloride

5. N-(4-(methoxymethyl)piperidin-4-yl)-n-phenylpropanamide Hydrochloride

6. N-[4-(methoxymethyl)piperidin-4-yl]-n-phenylpropanamide;hydrochloride

7. Unii-d9e7nd24ly

8. Einecs 282-425-3

9. Schembl3168685

10. Dtxsid80233117

11. Q27276276

12. N-(4-(methoxymethyl)-4-piperidinyl)-n-phenylpropanamide Hydrochloride

13. Propanamide, N-(4-(methoxymethyl)-4-piperidinyl)-n-phenyl-, Monohydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₅ClN₂O₂
Molecular Weight	312.83 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	312.1604557 g/mol
Monoisotopic Mass	312.1604557 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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